N-[2-(dimethylamino)ethyl]-N-methylacetamide;N,N-dimethyl-2-morpholin-4-ylethanamine;N'-ethylethanimidamide;N-(2-methoxyethyl)-N-methylacetamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-3,4-dihydro-2H-pyrrole;N-methylpyrrolidin-2-imine

C39H84N12O4 — CID 158956499

IUPACN-[2-(dimethylamino)ethyl]-N-methylacetamide;N,N-dimethyl-2-morpholin-4-ylethanamine;N'-ethylethanimidamide;N-(2-methoxyethyl)-N-methylacetamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-3,4-dihydro-2H-pyrrole;N-methylpyrrolidin-2-imine
SMILESC/N=C1\CCCN1.CC(=O)N(C)CCN(C)C.CC/N=C(\C)N.CC1=NCCC1.CC1=NCCN1.CN(C)CCN1CCOCC1.COCCN(C)C(C)=O
InChIInChI=1S/C8H18N2O.C7H16N2O.C6H13NO2.C5H10N2.C5H9N.C4H8N2.C4H10N2/c1-9(2)3-4-10-5-7-11-8-6-10;1-7(10)9(4)6-5-8(2)3;1-6(8)7(2)4-5-9-3;1-6-5-3-2-4-7-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4;1-3-6-4(2)5/h3-8H2,1-2H3;5-6H2,1-4H3;4-5H2,1-3H3;2-4H2,1H3,(H,6,7);2-4H2,1H3;2-3H2,1H3,(H,5,6);3H2,1-2H3,(H2,5,6)
InChIKeyJMBJYHDGIVOSPK-UHFFFAOYSA-N
MW785.18 g/mol
LogP2.05
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-N-methylacetamide;N,N-dimethyl-2-morpholin-4-ylethanamine;N'-ethylethanimidamide;N-(2-methoxyethyl)-N-methylacetamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-3,4-dihydro-2H-pyrrole;N-methylpyrrolidin-2-imine

N-[2-(dimethylamino)ethyl]-N-methylacetamide;N,N-dimethyl-2-morpholin-4-ylethanamine;N'-ethylethanimidamide;N-(2-methoxyethyl)-N-methylacetamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-3,4-dihydro-2H-pyrrole;N-methylpyrrolidin-2-imine (PubChem CID 158956499) has the molecular formula C39H84N12O4 and a molecular weight of 785.18 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-methylacetamide;N,N-dimethyl-2-morpholin-4-ylethanamine;N'-ethylethanimidamide;N-(2-methoxyethyl)-N-methylacetamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-3,4-dihydro-2H-pyrrole;N-methylpyrrolidin-2-imine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-methylacetamide;N,N-dimethyl-2-morpholin-4-ylethanamine;N'-ethylethanimidamide;N-(2-methoxyethyl)-N-methylacetamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-3,4-dihydro-2H-pyrrole;N-methylpyrrolidin-2-imine
PubChem CID158956499
Molecular FormulaC39H84N12O4
Molecular Weight785.18 g/mol
Exact Mass784.67
IUPAC NameN-[2-(dimethylamino)ethyl]-N-methylacetamide;N,N-dimethyl-2-morpholin-4-ylethanamine;N'-ethylethanimidamide;N-(2-methoxyethyl)-N-methylacetamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-3,4-dihydro-2H-pyrrole;N-methylpyrrolidin-2-imine
SMILESC/N=C1\CCCN1.CC(=O)N(C)CCN(C)C.CC/N=C(\C)N.CC1=NCCC1.CC1=NCCN1.CN(C)CCN1CCOCC1.COCCN(C)C(C)=O
InChIInChI=1S/C8H18N2O.C7H16N2O.C6H13NO2.C5H10N2.C5H9N.C4H8N2.C4H10N2/c1-9(2)3-4-10-5-7-11-8-6-10;1-7(10)9(4)6-5-8(2)3;1-6(8)7(2)4-5-9-3;1-6-5-3-2-4-7-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4;1-3-6-4(2)5/h3-8H2,1-2H3;5-6H2,1-4H3;4-5H2,1-3H3;2-4H2,1H3,(H,6,7);2-4H2,1H3;2-3H2,1H3,(H,5,6);3H2,1-2H3,(H2,5,6)
InChIKeyJMBJYHDGIVOSPK-UHFFFAOYSA-N
XLogP2.05
TPSA168.32 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.18
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethyl]-N-methylacetamide;N,N-dimethyl-2-morpholin-4-ylethanamine;N'-ethylethanimidamide;N-(2-methoxyethyl)-N-methylacetamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-3,4-dihydro-2H-pyrrole;N-methylpyrrolidin-2-imine with MolForge

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Related Compounds

zinc;N,N-dimethyl-2-morpholin-4-ylethanamine;dichloride
CID 70152362
4-[2-(6-methyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethyl]morpholine
CID 66827755
N-(2-methoxyethyl)-N-methylmorpholine-4-carboxamide
CID 115589220
N-[2-(diethylamino)ethyl]-N-methylacetamide;N-[2-(dimethylamino)ethyl]-N-methylacetamide;bis(N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide);bis(N-methyl-N-(2-morpholin-4-ylethyl)acetamide);bis(N-methyl-N-(2-piperazin-1-ylethyl)acetamide);N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide;hexakis(3-propan-2-ylpyridine);tris(4-propan-2-ylpyridine)
CID 162237404
2-(dimethylamino)ethyl 3-morpholin-4-ylpropanoate
CID 21449218
N-[2-(diethylamino)ethyl]-N-methylacetamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;N-methyl-N-(2-morpholin-4-ylethyl)acetamide;N-methyl-N-(2-piperazin-1-ylethyl)acetamide;N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide;pentakis(3-propan-2-ylpyridine)
CID 159120227
2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate
CID 20754847
ethyl (2R)-2-[methyl(2-morpholin-4-ylethyl)amino]propanoate
CID 95623746
N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 113053665
N,N-diethyl-2-methoxyethanamine;N-[2-(dimethylamino)ethyl]-N-ethylacetamide;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 158725021
N,N-dimethylacetamide;ethane;4-ethylmorpholine
CID 164557325
2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037016

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-methylacetamide;N,N-dimethyl-2-morpholin-4-ylethanamine;N'-ethylethanimidamide;N-(2-methoxyethyl)-N-methylacetamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-3,4-dihydro-2H-pyrrole;N-methylpyrrolidin-2-imine?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-methylacetamide;N,N-dimethyl-2-morpholin-4-ylethanamine;N'-ethylethanimidamide;N-(2-methoxyethyl)-N-methylacetamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-3,4-dihydro-2H-pyrrole;N-methylpyrrolidin-2-imine (CID 158956499) is N-[2-(dimethylamino)ethyl]-N-methylacetamide;N,N-dimethyl-2-morpholin-4-ylethanamine;N'-ethylethanimidamide;N-(2-methoxyethyl)-N-methylacetamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-3,4-dihydro-2H-pyrrole;N-methylpyrrolidin-2-imine.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-methylacetamide;N,N-dimethyl-2-morpholin-4-ylethanamine;N'-ethylethanimidamide;N-(2-methoxyethyl)-N-methylacetamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-3,4-dihydro-2H-pyrrole;N-methylpyrrolidin-2-imine?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-methylacetamide;N,N-dimethyl-2-morpholin-4-ylethanamine;N'-ethylethanimidamide;N-(2-methoxyethyl)-N-methylacetamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-3,4-dihydro-2H-pyrrole;N-methylpyrrolidin-2-imine is C/N=C1\CCCN1.CC(=O)N(C)CCN(C)C.CC/N=C(\C)N.CC1=NCCC1.CC1=NCCN1.CN(C)CCN1CCOCC1.COCCN(C)C(C)=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-methylacetamide;N,N-dimethyl-2-morpholin-4-ylethanamine;N'-ethylethanimidamide;N-(2-methoxyethyl)-N-methylacetamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-3,4-dihydro-2H-pyrrole;N-methylpyrrolidin-2-imine?
The InChIKey is JMBJYHDGIVOSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.C7H16N2O.C6H13NO2.C5H10N2.C5H9N.C4H8N2.C4H10N2/c1-9(2)3-4-10-5-7-11-8-6-10;1-7(10)9(4)6-5-8(2)3;1-6(8)7(2)4-5-9-3;1-6-5-3-2-4-7-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4;1-3-6-4(2)5/h3-8H2,1-2H3;5-6H2,1-4H3;4-5H2,1-3H3;2-4H2,1H3,(H,6,7);2-4H2,1H3;2-3H2,1H3,(H,5,6);3H2,1-2H3,(H2,5,6).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-methylacetamide;N,N-dimethyl-2-morpholin-4-ylethanamine;N'-ethylethanimidamide;N-(2-methoxyethyl)-N-methylacetamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-3,4-dihydro-2H-pyrrole;N-methylpyrrolidin-2-imine?
N-[2-(dimethylamino)ethyl]-N-methylacetamide;N,N-dimethyl-2-morpholin-4-ylethanamine;N'-ethylethanimidamide;N-(2-methoxyethyl)-N-methylacetamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-3,4-dihydro-2H-pyrrole;N-methylpyrrolidin-2-imine has a molecular weight of 785.18 g/mol, XLogP of 2.05, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-methylacetamide;N,N-dimethyl-2-morpholin-4-ylethanamine;N'-ethylethanimidamide;N-(2-methoxyethyl)-N-methylacetamide;2-methyl-4,5-dihydro-1H-imidazole;5-methyl-3,4-dihydro-2H-pyrrole;N-methylpyrrolidin-2-imine is sourced from PubChem (CID 158956499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).