1-N-(2-pyrrolidin-2-ylcyclopentyl)cyclohexane-1,3-diamine

C15H29N3 — CID 128748620

IUPAC1-N-(2-pyrrolidin-2-ylcyclopentyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(NC2CCCC2C2CCCN2)C1
InChIInChI=1S/C15H29N3/c16-11-4-1-5-12(10-11)18-15-7-2-6-13(15)14-8-3-9-17-14/h11-15,17-18H,1-10,16H2
InChIKeyJWHYWBKTYMNYFG-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.77
Rot. Bonds3

About 1-N-(2-pyrrolidin-2-ylcyclopentyl)cyclohexane-1,3-diamine

1-N-(2-pyrrolidin-2-ylcyclopentyl)cyclohexane-1,3-diamine (PubChem CID 128748620) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-N-(2-pyrrolidin-2-ylcyclopentyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-pyrrolidin-2-ylcyclopentyl)cyclohexane-1,3-diamine
PubChem CID128748620
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-N-(2-pyrrolidin-2-ylcyclopentyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(NC2CCCC2C2CCCN2)C1
InChIInChI=1S/C15H29N3/c16-11-4-1-5-12(10-11)18-15-7-2-6-13(15)14-8-3-9-17-14/h11-15,17-18H,1-10,16H2
InChIKeyJWHYWBKTYMNYFG-UHFFFAOYSA-N
XLogP1.77
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylcyclopentyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 114543913
N,N-dimethyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]cyclohexane-1-carboxamide
CID 166238405
3-[(2-piperidin-2-ylcyclohexyl)amino]cyclobutan-1-ol
CID 79552583
N-(2-methylcyclopropyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79544805
N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine
CID 79544366
N-(4-propylcyclohexyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79536701
N-(cyclobutylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543505
1-N-(2-methylcyclohexyl)cyclohexane-1,3-diamine
CID 79458526
2-methyl-N-(2-piperidin-2-ylcyclopentyl)cyclopentan-1-amine
CID 79545248
1,1-dioxo-N-(2-piperidin-2-ylcyclohexyl)thian-3-amine
CID 79541542
4-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyrrolidin-2-one
CID 114155168
1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine
CID 79545123

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-pyrrolidin-2-ylcyclopentyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(2-pyrrolidin-2-ylcyclopentyl)cyclohexane-1,3-diamine (CID 128748620) is 1-N-(2-pyrrolidin-2-ylcyclopentyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(2-pyrrolidin-2-ylcyclopentyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(2-pyrrolidin-2-ylcyclopentyl)cyclohexane-1,3-diamine is NC1CCCC(NC2CCCC2C2CCCN2)C1.
What is the InChIKey of 1-N-(2-pyrrolidin-2-ylcyclopentyl)cyclohexane-1,3-diamine?
The InChIKey is JWHYWBKTYMNYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c16-11-4-1-5-12(10-11)18-15-7-2-6-13(15)14-8-3-9-17-14/h11-15,17-18H,1-10,16H2.
What are the key properties of 1-N-(2-pyrrolidin-2-ylcyclopentyl)cyclohexane-1,3-diamine?
1-N-(2-pyrrolidin-2-ylcyclopentyl)cyclohexane-1,3-diamine has a molecular weight of 251.42 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-pyrrolidin-2-ylcyclopentyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 128748620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).