4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethylpentan-1-amine

C14H31N3 — CID 24691233

IUPAC4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethylpentan-1-amine
SMILESCCN(CC)CCCC(C)N1CCC(CN)C1
InChIInChI=1S/C14H31N3/c1-4-16(5-2)9-6-7-13(3)17-10-8-14(11-15)12-17/h13-14H,4-12,15H2,1-3H3
InChIKeyLSUYUODOEKUSNO-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.78
Rot. Bonds8

About 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethylpentan-1-amine

4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethylpentan-1-amine (PubChem CID 24691233) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethylpentan-1-amine.

Molecular Properties

Compound Name4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethylpentan-1-amine
PubChem CID24691233
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethylpentan-1-amine
SMILESCCN(CC)CCCC(C)N1CCC(CN)C1
InChIInChI=1S/C14H31N3/c1-4-16(5-2)9-6-7-13(3)17-10-8-14(11-15)12-17/h13-14H,4-12,15H2,1-3H3
InChIKeyLSUYUODOEKUSNO-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 115492059
[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine
CID 61482680
[1-(1-cyclopropylpropyl)pyrrolidin-3-yl]methanamine
CID 64918269
[1-(1-cyclopentylethyl)pyrrolidin-3-yl]methanamine
CID 62632841
[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
CID 2237132
N-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine
CID 62511473
N-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62511464
N-ethyl-2-methyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]propan-1-amine
CID 167231530
3-[3-(aminomethyl)pyrrolidin-1-yl]-4-methylpentanoic acid
CID 112709333
1-(6,6,6-trifluorohexan-2-yl)pyrrolidin-3-amine
CID 116535635
N-methyl-1-(1-pentan-2-ylpyrrolidin-3-yl)methanamine
CID 62511893
1-cyclopropyl-N',N'-diethylbutane-1,4-diamine;dihydrochloride
CID 69456061

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethylpentan-1-amine?
The IUPAC name of 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethylpentan-1-amine (CID 24691233) is 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethylpentan-1-amine.
What is the SMILES notation for 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethylpentan-1-amine?
The canonical SMILES for 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethylpentan-1-amine is CCN(CC)CCCC(C)N1CCC(CN)C1.
What is the InChIKey of 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethylpentan-1-amine?
The InChIKey is LSUYUODOEKUSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-4-16(5-2)9-6-7-13(3)17-10-8-14(11-15)12-17/h13-14H,4-12,15H2,1-3H3.
What are the key properties of 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethylpentan-1-amine?
4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethylpentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethylpentan-1-amine is sourced from PubChem (CID 24691233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).