N-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine

C12H20N2 — CID 100792166

IUPACN-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine
SMILESCc1ccc(CNC2CCCC2)n1C
InChIInChI=1S/C12H20N2/c1-10-7-8-12(14(10)2)9-13-11-5-3-4-6-11/h7-8,11,13H,3-6,9H2,1-2H3
InChIKeyZHHVSNJTLPBJLS-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.37
Rot. Bonds3

About N-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine

N-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine (PubChem CID 100792166) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine
PubChem CID100792166
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine
SMILESCc1ccc(CNC2CCCC2)n1C
InChIInChI=1S/C12H20N2/c1-10-7-8-12(14(10)2)9-13-11-5-3-4-6-11/h7-8,11,13H,3-6,9H2,1-2H3
InChIKeyZHHVSNJTLPBJLS-UHFFFAOYSA-N
XLogP2.37
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-cyclopentyloxy-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide
CID 95625366
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43620654
2-[(cyclopentylamino)methyl]-1-methylindol-6-amine
CID 117180033
2-[(cyclopentylamino)methyl]-1-methylindol-6-ol
CID 117180034
N-[(1-methylindol-2-yl)methyl]cyclobutanamine
CID 117173088
N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine
CID 117173103
N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine
CID 66411275
N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine
CID 66410893
N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine
CID 117192902
2-[(cyclobutylamino)methyl]-1-methylindol-5-ol
CID 117176588
N-[(5-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
CID 117176590
N-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]cyclopentanamine
CID 4005680

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine (CID 100792166) is N-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine is Cc1ccc(CNC2CCCC2)n1C.
What is the InChIKey of N-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine?
The InChIKey is ZHHVSNJTLPBJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-7-8-12(14(10)2)9-13-11-5-3-4-6-11/h7-8,11,13H,3-6,9H2,1-2H3.
What are the key properties of N-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine?
N-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine has a molecular weight of 192.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine is sourced from PubChem (CID 100792166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).