N-[1-(1H-imidazol-2-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine

C13H23N3 — CID 106662824

IUPACN-[1-(1H-imidazol-2-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine
SMILESCC(NC1CC(C)(C)CC1C)c1ncc[nH]1
InChIInChI=1S/C13H23N3/c1-9-7-13(3,4)8-11(9)16-10(2)12-14-5-6-15-12/h5-6,9-11,16H,7-8H2,1-4H3,(H,14,15)
InChIKeyUKRDLKFRUDNXHQ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.88
Rot. Bonds3

About N-[1-(1H-imidazol-2-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine

N-[1-(1H-imidazol-2-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine (PubChem CID 106662824) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine
PubChem CID106662824
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[1-(1H-imidazol-2-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine
SMILESCC(NC1CC(C)(C)CC1C)c1ncc[nH]1
InChIInChI=1S/C13H23N3/c1-9-7-13(3,4)8-11(9)16-10(2)12-14-5-6-15-12/h5-6,9-11,16H,7-8H2,1-4H3,(H,14,15)
InChIKeyUKRDLKFRUDNXHQ-UHFFFAOYSA-N
XLogP2.88
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine?
The IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine (CID 106662824) is N-[1-(1H-imidazol-2-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(1H-imidazol-2-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-(1H-imidazol-2-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine is CC(NC1CC(C)(C)CC1C)c1ncc[nH]1.
What is the InChIKey of N-[1-(1H-imidazol-2-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine?
The InChIKey is UKRDLKFRUDNXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9-7-13(3,4)8-11(9)16-10(2)12-14-5-6-15-12/h5-6,9-11,16H,7-8H2,1-4H3,(H,14,15).
What are the key properties of N-[1-(1H-imidazol-2-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine?
N-[1-(1H-imidazol-2-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine is sourced from PubChem (CID 106662824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).