2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine

C13H29N3O — CID 55128341

IUPAC2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)N1CCCC1CN(C)C
InChIInChI=1S/C13H29N3O/c1-12(10-14-7-9-17-4)16-8-5-6-13(16)11-15(2)3/h12-14H,5-11H2,1-4H3
InChIKeyJKEDPAMKOYBNNB-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.64
Rot. Bonds8

About 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine

2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine (PubChem CID 55128341) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine
PubChem CID55128341
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)N1CCCC1CN(C)C
InChIInChI=1S/C13H29N3O/c1-12(10-14-7-9-17-4)16-8-5-6-13(16)11-15(2)3/h12-14H,5-11H2,1-4H3
InChIKeyJKEDPAMKOYBNNB-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63167781
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile
CID 62886111
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide
CID 76975863
ethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanoate
CID 55128089
N-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62438040
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one
CID 62889835
N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009404
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4,4-trifluorobutan-2-amine
CID 62885371
2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62581642
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethylpentan-3-amine
CID 55127518
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226895
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 103226897

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine (CID 55128341) is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine is COCCNCC(C)N1CCCC1CN(C)C.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is JKEDPAMKOYBNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-12(10-14-7-9-17-4)16-8-5-6-13(16)11-15(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine?
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 55128341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).