N-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine

C11H19N3 — CID 80705410

IUPACN-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NCc2ncc[nH]2)C1
InChIInChI=1S/C11H19N3/c1-11(2)4-3-9(7-11)14-8-10-12-5-6-13-10/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKeyZEUSQSHBNPFXSG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.08
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine

N-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine (PubChem CID 80705410) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
PubChem CID80705410
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NCc2ncc[nH]2)C1
InChIInChI=1S/C11H19N3/c1-11(2)4-3-9(7-11)14-8-10-12-5-6-13-10/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKeyZEUSQSHBNPFXSG-UHFFFAOYSA-N
XLogP2.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine (CID 80705410) is N-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine is CC1(C)CCC(NCc2ncc[nH]2)C1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine?
The InChIKey is ZEUSQSHBNPFXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2)4-3-9(7-11)14-8-10-12-5-6-13-10/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,12,13).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine?
N-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 80705410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).