1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine

C10H17N3 — CID 115117395

IUPAC1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine
SMILESNC1CCCC1NCc1cc[nH]c1
InChIInChI=1S/C10H17N3/c11-9-2-1-3-10(9)13-7-8-4-5-12-6-8/h4-6,9-10,12-13H,1-3,7,11H2
InChIKeyCLHREEXRWRYNNF-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.98
Rot. Bonds3

About 1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine

1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine (PubChem CID 115117395) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine
PubChem CID115117395
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine
SMILESNC1CCCC1NCc1cc[nH]c1
InChIInChI=1S/C10H17N3/c11-9-2-1-3-10(9)13-7-8-4-5-12-6-8/h4-6,9-10,12-13H,1-3,7,11H2
InChIKeyCLHREEXRWRYNNF-UHFFFAOYSA-N
XLogP0.98
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-pyrrol-3-ylmethyl)cyclobutanamine
CID 66409637
trans-(1S,2S)-2-N-[[4-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenyl]methyl]cyclohexane-1,2-diamine;tetrahydrochloride
CID 139241263
1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine
CID 115117343
N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 66408115
N-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine
CID 130658457
3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine
CID 66409422
2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine
CID 130628513
tert-butyl N-[[(1S,2R)-2-(1H-pyrrol-3-ylmethylamino)cyclopentyl]methyl]carbamate
CID 97048208
3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol
CID 66408120
N-(1H-pyrrol-3-ylmethyl)cyclopent-3-en-1-amine
CID 115696355
1,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-amine
CID 130692968
N-(1H-pyrrol-3-ylmethyl)oxan-3-amine
CID 66409421

Frequently Asked Questions

What is the IUPAC name of 1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine (CID 115117395) is 1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine is NC1CCCC1NCc1cc[nH]c1.
What is the InChIKey of 1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine?
The InChIKey is CLHREEXRWRYNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-9-2-1-3-10(9)13-7-8-4-5-12-6-8/h4-6,9-10,12-13H,1-3,7,11H2.
What are the key properties of 1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine?
1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine has a molecular weight of 179.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine is sourced from PubChem (CID 115117395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).