N-butyl-2-imidazol-1-ylcyclopentan-1-amine

C12H21N3 — CID 43734458

IUPACN-butyl-2-imidazol-1-ylcyclopentan-1-amine
SMILESCCCCNC1CCCC1n1ccnc1
InChIInChI=1S/C12H21N3/c1-2-3-7-14-11-5-4-6-12(11)15-9-8-13-10-15/h8-12,14H,2-7H2,1H3
InChIKeyXTDBPPGKQYVSLB-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.37
Rot. Bonds5

About N-butyl-2-imidazol-1-ylcyclopentan-1-amine

N-butyl-2-imidazol-1-ylcyclopentan-1-amine (PubChem CID 43734458) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-butyl-2-imidazol-1-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-butyl-2-imidazol-1-ylcyclopentan-1-amine
PubChem CID43734458
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-butyl-2-imidazol-1-ylcyclopentan-1-amine
SMILESCCCCNC1CCCC1n1ccnc1
InChIInChI=1S/C12H21N3/c1-2-3-7-14-11-5-4-6-12(11)15-9-8-13-10-15/h8-12,14H,2-7H2,1H3
InChIKeyXTDBPPGKQYVSLB-UHFFFAOYSA-N
XLogP2.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-imidazol-1-ylcyclopentan-1-amine?
The IUPAC name of N-butyl-2-imidazol-1-ylcyclopentan-1-amine (CID 43734458) is N-butyl-2-imidazol-1-ylcyclopentan-1-amine.
What is the SMILES notation for N-butyl-2-imidazol-1-ylcyclopentan-1-amine?
The canonical SMILES for N-butyl-2-imidazol-1-ylcyclopentan-1-amine is CCCCNC1CCCC1n1ccnc1.
What is the InChIKey of N-butyl-2-imidazol-1-ylcyclopentan-1-amine?
The InChIKey is XTDBPPGKQYVSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-3-7-14-11-5-4-6-12(11)15-9-8-13-10-15/h8-12,14H,2-7H2,1H3.
What are the key properties of N-butyl-2-imidazol-1-ylcyclopentan-1-amine?
N-butyl-2-imidazol-1-ylcyclopentan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-imidazol-1-ylcyclopentan-1-amine is sourced from PubChem (CID 43734458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).