N-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine

C13H24N2 — CID 115677495

IUPACN-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine
SMILESCCCC(CCC)NCc1ccn(C)c1
InChIInChI=1S/C13H24N2/c1-4-6-13(7-5-2)14-10-12-8-9-15(3)11-12/h8-9,11,13-14H,4-7,10H2,1-3H3
InChIKeyZCUWXIIVDYPOOY-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.08
Rot. Bonds7

About N-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine

N-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine (PubChem CID 115677495) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine
PubChem CID115677495
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine
SMILESCCCC(CCC)NCc1ccn(C)c1
InChIInChI=1S/C13H24N2/c1-4-6-13(7-5-2)14-10-12-8-9-15(3)11-12/h8-9,11,13-14H,4-7,10H2,1-3H3
InChIKeyZCUWXIIVDYPOOY-UHFFFAOYSA-N
XLogP3.08
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine 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

1H-Pyrrole, 3-methyl-
CID 12023
4-(1H-pyrrol-1-yl)piperidine
CID 21922730
3-(1H-pyrrol-1-yl)propan-1-amine
CID 4585582
1,3-dimethyl-1H-pyrrole
CID 10964417
1H-pyrrol-3-ylmethanamine
CID 23295846
1-Methyl-2-(1-pentyl-1H-pyrrol-3-yl)-ethylamine
CID 14739643
1-n-Octylpyrrole
CID 10631204
1-(1-methyl-1H-pyrrol-3-yl)ethan-1-amine
CID 22891637
4-[(1H-pyrrol-1-yl)methyl]piperidine
CID 24265150
4-(1H-pyrrol-1-yl)butan-1-amine
CID 24265151
(1-methyl-1H-pyrrol-3-yl)methanamine
CID 55254375
methyl(2-(1H-pyrrol-1-yl)ethyl)amine
CID 59730499

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine (CID 115677495) is N-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine is CCCC(CCC)NCc1ccn(C)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine?
The InChIKey is ZCUWXIIVDYPOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-6-13(7-5-2)14-10-12-8-9-15(3)11-12/h8-9,11,13-14H,4-7,10H2,1-3H3.
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine?
N-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine has a molecular weight of 208.35 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine is sourced from PubChem (CID 115677495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).