N-[[1-(3,3-dimethylcyclopentyl)imidazol-4-yl]methyl]propan-1-amine

C14H25N3 — CID 114204521

IUPACN-[[1-(3,3-dimethylcyclopentyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(C2CCC(C)(C)C2)cn1
InChIInChI=1S/C14H25N3/c1-4-7-15-9-12-10-17(11-16-12)13-5-6-14(2,3)8-13/h10-11,13,15H,4-9H2,1-3H3
InChIKeyBFJKWNBEQIEAIE-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.13
Rot. Bonds5

About N-[[1-(3,3-dimethylcyclopentyl)imidazol-4-yl]methyl]propan-1-amine

N-[[1-(3,3-dimethylcyclopentyl)imidazol-4-yl]methyl]propan-1-amine (PubChem CID 114204521) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[1-(3,3-dimethylcyclopentyl)imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3,3-dimethylcyclopentyl)imidazol-4-yl]methyl]propan-1-amine
PubChem CID114204521
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[[1-(3,3-dimethylcyclopentyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(C2CCC(C)(C)C2)cn1
InChIInChI=1S/C14H25N3/c1-4-7-15-9-12-10-17(11-16-12)13-5-6-14(2,3)8-13/h10-11,13,15H,4-9H2,1-3H3
InChIKeyBFJKWNBEQIEAIE-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.13
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-[[1-(3,3-dimethylcyclopentyl)imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3,3-dimethylcyclopentyl)imidazol-4-yl]methyl]propan-1-amine (CID 114204521) is N-[[1-(3,3-dimethylcyclopentyl)imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3,3-dimethylcyclopentyl)imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3,3-dimethylcyclopentyl)imidazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(C2CCC(C)(C)C2)cn1.
What is the InChIKey of N-[[1-(3,3-dimethylcyclopentyl)imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is BFJKWNBEQIEAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-7-15-9-12-10-17(11-16-12)13-5-6-14(2,3)8-13/h10-11,13,15H,4-9H2,1-3H3.
What are the key properties of N-[[1-(3,3-dimethylcyclopentyl)imidazol-4-yl]methyl]propan-1-amine?
N-[[1-(3,3-dimethylcyclopentyl)imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3-dimethylcyclopentyl)imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 114204521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).