1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine

C16H29N3 — CID 62474594

IUPAC1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine
SMILESCc1cc(CNCC2CCN(C(C)C)C2)c(C)n1C
InChIInChI=1S/C16H29N3/c1-12(2)19-7-6-15(11-19)9-17-10-16-8-13(3)18(5)14(16)4/h8,12,15,17H,6-7,9-11H2,1-5H3
InChIKeyPCWSSZWJGAFPKB-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.46
Rot. Bonds5

About 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine

1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine (PubChem CID 62474594) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine
PubChem CID62474594
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine
SMILESCc1cc(CNCC2CCN(C(C)C)C2)c(C)n1C
InChIInChI=1S/C16H29N3/c1-12(2)19-7-6-15(11-19)9-17-10-16-8-13(3)18(5)14(16)4/h8,12,15,17H,6-7,9-11H2,1-5H3
InChIKeyPCWSSZWJGAFPKB-UHFFFAOYSA-N
XLogP2.46
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4-dichlorophenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61207914
4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]benzene-1,2-diol
CID 61208305
2-(1-methylpiperidin-4-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 114515132
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61209102
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61208914
2-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propan-1-ol
CID 65037125
N-[(4-methoxy-3-methylphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61206805
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine
CID 61208707
5-(hydroxymethyl)-2-methyl-4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]pyridin-3-ol
CID 116686346
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61207553
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66415655
1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 61208893

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine?
The IUPAC name of 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine (CID 62474594) is 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine is Cc1cc(CNCC2CCN(C(C)C)C2)c(C)n1C.
What is the InChIKey of 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine?
The InChIKey is PCWSSZWJGAFPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-12(2)19-7-6-15(11-19)9-17-10-16-8-13(3)18(5)14(16)4/h8,12,15,17H,6-7,9-11H2,1-5H3.
What are the key properties of 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine?
1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine has a molecular weight of 263.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine is sourced from PubChem (CID 62474594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).