N-(1H-pyrrol-3-ylmethyl)cyclobutanamine

C9H14N2 — CID 66409637

IUPACN-(1H-pyrrol-3-ylmethyl)cyclobutanamine
SMILESc1cc(CNC2CCC2)c[nH]1
InChIInChI=1S/C9H14N2/c1-2-9(3-1)11-7-8-4-5-10-6-8/h4-6,9-11H,1-3,7H2
InChIKeyVXEDZSXOCYDYLD-UHFFFAOYSA-N
MW150.23 g/mol
LogP1.66
Rot. Bonds3

About N-(1H-pyrrol-3-ylmethyl)cyclobutanamine

N-(1H-pyrrol-3-ylmethyl)cyclobutanamine (PubChem CID 66409637) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is N-(1H-pyrrol-3-ylmethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(1H-pyrrol-3-ylmethyl)cyclobutanamine
PubChem CID66409637
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC NameN-(1H-pyrrol-3-ylmethyl)cyclobutanamine
SMILESc1cc(CNC2CCC2)c[nH]1
InChIInChI=1S/C9H14N2/c1-2-9(3-1)11-7-8-4-5-10-6-8/h4-6,9-11H,1-3,7H2
InChIKeyVXEDZSXOCYDYLD-UHFFFAOYSA-N
XLogP1.66
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(1H-pyrrol-3-ylmethyl)cyclobutanamine 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-(1H-pyrrol-3-ylmethyl)oxan-3-amine
CID 66409421
N-(1H-pyrrol-3-ylmethyl)cyclopent-3-en-1-amine
CID 115696355
4-(1H-pyrrol-3-ylmethylamino)cyclohexane-1-carboxylic acid
CID 115149093
1-methyl-N-(1H-pyrrol-3-ylmethyl)azetidin-3-amine
CID 131043183
N-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine
CID 130658457
3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol
CID 66408120
2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384695
2-(cyclopropylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384770
2-[3-(1H-pyrrol-3-ylmethylamino)piperidin-1-yl]benzonitrile
CID 154750090
(1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81387504
N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 66408115
tert-butyl (3S)-3-(1H-pyrrol-3-ylmethylamino)piperidine-1-carboxylate
CID 75434853

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-ylmethyl)cyclobutanamine?
The IUPAC name of N-(1H-pyrrol-3-ylmethyl)cyclobutanamine (CID 66409637) is N-(1H-pyrrol-3-ylmethyl)cyclobutanamine.
What is the SMILES notation for N-(1H-pyrrol-3-ylmethyl)cyclobutanamine?
The canonical SMILES for N-(1H-pyrrol-3-ylmethyl)cyclobutanamine is c1cc(CNC2CCC2)c[nH]1.
What is the InChIKey of N-(1H-pyrrol-3-ylmethyl)cyclobutanamine?
The InChIKey is VXEDZSXOCYDYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-9(3-1)11-7-8-4-5-10-6-8/h4-6,9-11H,1-3,7H2.
What are the key properties of N-(1H-pyrrol-3-ylmethyl)cyclobutanamine?
N-(1H-pyrrol-3-ylmethyl)cyclobutanamine has a molecular weight of 150.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-3-ylmethyl)cyclobutanamine is sourced from PubChem (CID 66409637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).