N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine

C13H22N4 — CID 79543771

IUPACN-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
SMILESc1ncc(CNC2CCCC2C2CCCN2)[nH]1
InChIInChI=1S/C13H22N4/c1-3-11(12-5-2-6-15-12)13(4-1)16-8-10-7-14-9-17-10/h7,9,11-13,15-16H,1-6,8H2,(H,14,17)
InChIKeySDRHISAIWQQYBN-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.42
Rot. Bonds4

About N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine

N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine (PubChem CID 79543771) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
PubChem CID79543771
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
SMILESc1ncc(CNC2CCCC2C2CCCN2)[nH]1
InChIInChI=1S/C13H22N4/c1-3-11(12-5-2-6-15-12)13(4-1)16-8-10-7-14-9-17-10/h7,9,11-13,15-16H,1-6,8H2,(H,14,17)
InChIKeySDRHISAIWQQYBN-UHFFFAOYSA-N
XLogP1.42
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544285
N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79545849
N-[(4-ethylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 106899423
N-(pyridin-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543889
N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 106414949
N-benzyl-2-piperidin-2-ylcyclopentan-1-amine
CID 79545054
N-(1,2,4-oxadiazol-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 106393192
N-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79537133
N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543838
N-(2-piperidin-2-ylcyclopentyl)pyrimidin-5-amine
CID 107587753
N-[(2-chlorophenyl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79545200
2-piperidin-2-yl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 79545513

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine (CID 79543771) is N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine is c1ncc(CNC2CCCC2C2CCCN2)[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine?
The InChIKey is SDRHISAIWQQYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-11(12-5-2-6-15-12)13(4-1)16-8-10-7-14-9-17-10/h7,9,11-13,15-16H,1-6,8H2,(H,14,17).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine?
N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine has a molecular weight of 234.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine is sourced from PubChem (CID 79543771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).