N-cyclohexyl-N'-methylethanimidamide;N'-methyl-N-phenylethanimidamide;N-methylpropan-2-imine;1-morpholin-4-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine

C37H70N10O — CID 158544492

IUPACN-cyclohexyl-N'-methylethanimidamide;N'-methyl-N-phenylethanimidamide;N-methylpropan-2-imine;1-morpholin-4-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine
SMILESC/N=C(\C)NC1CCCCC1.C/N=C(\C)Nc1ccccc1.CN=C(C)C.[H]/N=C(\C)N1CCCC1.[H]/N=C(\C)N1CCOCC1.[H]N=C(C)C
InChIInChI=1S/C9H18N2.C9H12N2.C6H12N2O.C6H12N2.C4H9N.C3H7N/c2*1-8(10-2)11-9-6-4-3-5-7-9;1-6(7)8-2-4-9-5-3-8;1-6(7)8-4-2-3-5-8;1-4(2)5-3;1-3(2)4/h9H,3-7H2,1-2H3,(H,10,11);3-7H,1-2H3,(H,10,11);7H,2-5H2,1H3;7H,2-5H2,1H3;1-3H3;4H,1-2H3/b;;2*7-6+;;
InChIKeyHOYBKPOQMAUKGD-ZRZYEMLTSA-N
MW671.04 g/mol
LogP7.64
Rot. Bonds2

About N-cyclohexyl-N'-methylethanimidamide;N'-methyl-N-phenylethanimidamide;N-methylpropan-2-imine;1-morpholin-4-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine

N-cyclohexyl-N'-methylethanimidamide;N'-methyl-N-phenylethanimidamide;N-methylpropan-2-imine;1-morpholin-4-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine (PubChem CID 158544492) has the molecular formula C37H70N10O and a molecular weight of 671.04 g/mol. Its IUPAC name is N-cyclohexyl-N'-methylethanimidamide;N'-methyl-N-phenylethanimidamide;N-methylpropan-2-imine;1-morpholin-4-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine.

Molecular Properties

Compound NameN-cyclohexyl-N'-methylethanimidamide;N'-methyl-N-phenylethanimidamide;N-methylpropan-2-imine;1-morpholin-4-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine
PubChem CID158544492
Molecular FormulaC37H70N10O
Molecular Weight671.04 g/mol
Exact Mass670.57
IUPAC NameN-cyclohexyl-N'-methylethanimidamide;N'-methyl-N-phenylethanimidamide;N-methylpropan-2-imine;1-morpholin-4-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine
SMILESC/N=C(\C)NC1CCCCC1.C/N=C(\C)Nc1ccccc1.CN=C(C)C.[H]/N=C(\C)N1CCCC1.[H]/N=C(\C)N1CCOCC1.[H]N=C(C)C
InChIInChI=1S/C9H18N2.C9H12N2.C6H12N2O.C6H12N2.C4H9N.C3H7N/c2*1-8(10-2)11-9-6-4-3-5-7-9;1-6(7)8-2-4-9-5-3-8;1-6(7)8-4-2-3-5-8;1-4(2)5-3;1-3(2)4/h9H,3-7H2,1-2H3,(H,10,11);3-7H,1-2H3,(H,10,11);7H,2-5H2,1H3;7H,2-5H2,1H3;1-3H3;4H,1-2H3/b;;2*7-6+;;
InChIKeyHOYBKPOQMAUKGD-ZRZYEMLTSA-N
XLogP7.64
TPSA148.40 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.04
LogP ≤ 57.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-N'-methylethanimidamide;N'-methyl-N-phenylethanimidamide;N-methylpropan-2-imine;1-morpholin-4-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine with MolForge

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Related Compounds

N-phenylmorpholine-4-carbothioamide
CID 139054920
1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 110990423
4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109146802
1-cyclohexyl-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 3710493
N-cyclohexyl-2-[[N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111375534
1-cycloheptyl-3-phenylthiourea
CID 4085620
3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide
CID 113132158
N-[(3S)-1-[methyl(phenyl)carbamoyl]azepan-3-yl]morpholine-4-carboxamide
CID 96571011
1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 51082716
(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116250
2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]-N-phenylacetamide
CID 9391214
2-[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]-N-phenylacetamide;hydroiodide
CID 111727410

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-methylethanimidamide;N'-methyl-N-phenylethanimidamide;N-methylpropan-2-imine;1-morpholin-4-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine?
The IUPAC name of N-cyclohexyl-N'-methylethanimidamide;N'-methyl-N-phenylethanimidamide;N-methylpropan-2-imine;1-morpholin-4-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine (CID 158544492) is N-cyclohexyl-N'-methylethanimidamide;N'-methyl-N-phenylethanimidamide;N-methylpropan-2-imine;1-morpholin-4-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine.
What is the SMILES notation for N-cyclohexyl-N'-methylethanimidamide;N'-methyl-N-phenylethanimidamide;N-methylpropan-2-imine;1-morpholin-4-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine?
The canonical SMILES for N-cyclohexyl-N'-methylethanimidamide;N'-methyl-N-phenylethanimidamide;N-methylpropan-2-imine;1-morpholin-4-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine is C/N=C(\C)NC1CCCCC1.C/N=C(\C)Nc1ccccc1.CN=C(C)C.[H]/N=C(\C)N1CCCC1.[H]/N=C(\C)N1CCOCC1.[H]N=C(C)C.
What is the InChIKey of N-cyclohexyl-N'-methylethanimidamide;N'-methyl-N-phenylethanimidamide;N-methylpropan-2-imine;1-morpholin-4-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine?
The InChIKey is HOYBKPOQMAUKGD-ZRZYEMLTSA-N. The full InChI is InChI=1S/C9H18N2.C9H12N2.C6H12N2O.C6H12N2.C4H9N.C3H7N/c2*1-8(10-2)11-9-6-4-3-5-7-9;1-6(7)8-2-4-9-5-3-8;1-6(7)8-4-2-3-5-8;1-4(2)5-3;1-3(2)4/h9H,3-7H2,1-2H3,(H,10,11);3-7H,1-2H3,(H,10,11);7H,2-5H2,1H3;7H,2-5H2,1H3;1-3H3;4H,1-2H3/b;;2*7-6+;;.
What are the key properties of N-cyclohexyl-N'-methylethanimidamide;N'-methyl-N-phenylethanimidamide;N-methylpropan-2-imine;1-morpholin-4-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine?
N-cyclohexyl-N'-methylethanimidamide;N'-methyl-N-phenylethanimidamide;N-methylpropan-2-imine;1-morpholin-4-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine has a molecular weight of 671.04 g/mol, XLogP of 7.64, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-methylethanimidamide;N'-methyl-N-phenylethanimidamide;N-methylpropan-2-imine;1-morpholin-4-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine is sourced from PubChem (CID 158544492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).