3-methyl-N-[(1-propylpyrrol-3-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine

C17H31N3 — CID 66399253

IUPAC3-methyl-N-[(1-propylpyrrol-3-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCCn1ccc(CNCC(C(C)C)N2CCCC2)c1
InChIInChI=1S/C17H31N3/c1-4-8-19-11-7-16(14-19)12-18-13-17(15(2)3)20-9-5-6-10-20/h7,11,14-15,17-18H,4-6,8-10,12-13H2,1-3H3
InChIKeySIZRGHZIOANYHY-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.11
Rot. Bonds8

About 3-methyl-N-[(1-propylpyrrol-3-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine

3-methyl-N-[(1-propylpyrrol-3-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 66399253) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 3-methyl-N-[(1-propylpyrrol-3-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-propylpyrrol-3-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID66399253
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name3-methyl-N-[(1-propylpyrrol-3-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCCn1ccc(CNCC(C(C)C)N2CCCC2)c1
InChIInChI=1S/C17H31N3/c1-4-8-19-11-7-16(14-19)12-18-13-17(15(2)3)20-9-5-6-10-20/h7,11,14-15,17-18H,4-6,8-10,12-13H2,1-3H3
InChIKeySIZRGHZIOANYHY-UHFFFAOYSA-N
XLogP3.11
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
N-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43100371
N-[(1-methylcyclopentyl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66416369
N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43207839
2-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]propan-1-amine
CID 107913087
N-[(1-propylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 103527684
1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66399030
1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66414583
1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine
CID 66397545
N-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide
CID 66415755
4-[[[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methyl]benzonitrile
CID 94193713

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-propylpyrrol-3-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-[(1-propylpyrrol-3-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine (CID 66399253) is 3-methyl-N-[(1-propylpyrrol-3-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(1-propylpyrrol-3-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[(1-propylpyrrol-3-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine is CCCn1ccc(CNCC(C(C)C)N2CCCC2)c1.
What is the InChIKey of 3-methyl-N-[(1-propylpyrrol-3-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is SIZRGHZIOANYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-8-19-11-7-16(14-19)12-18-13-17(15(2)3)20-9-5-6-10-20/h7,11,14-15,17-18H,4-6,8-10,12-13H2,1-3H3.
What are the key properties of 3-methyl-N-[(1-propylpyrrol-3-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine?
3-methyl-N-[(1-propylpyrrol-3-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-propylpyrrol-3-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 66399253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).