N-(2-imidazol-1-ylcyclopentyl)azepan-4-amine

C14H24N4 — CID 113361486

IUPACN-(2-imidazol-1-ylcyclopentyl)azepan-4-amine
SMILESc1cn(C2CCCC2NC2CCCNCC2)cn1
InChIInChI=1S/C14H24N4/c1-4-13(14(5-1)18-10-9-16-11-18)17-12-3-2-7-15-8-6-12/h9-15,17H,1-8H2
InChIKeyADJLQBHZRANTEE-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.71
Rot. Bonds3

About N-(2-imidazol-1-ylcyclopentyl)azepan-4-amine

N-(2-imidazol-1-ylcyclopentyl)azepan-4-amine (PubChem CID 113361486) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-imidazol-1-ylcyclopentyl)azepan-4-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylcyclopentyl)azepan-4-amine
PubChem CID113361486
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-(2-imidazol-1-ylcyclopentyl)azepan-4-amine
SMILESc1cn(C2CCCC2NC2CCCNCC2)cn1
InChIInChI=1S/C14H24N4/c1-4-13(14(5-1)18-10-9-16-11-18)17-12-3-2-7-15-8-6-12/h9-15,17H,1-8H2
InChIKeyADJLQBHZRANTEE-UHFFFAOYSA-N
XLogP1.71
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylcyclopentyl)azepan-4-amine?
The IUPAC name of N-(2-imidazol-1-ylcyclopentyl)azepan-4-amine (CID 113361486) is N-(2-imidazol-1-ylcyclopentyl)azepan-4-amine.
What is the SMILES notation for N-(2-imidazol-1-ylcyclopentyl)azepan-4-amine?
The canonical SMILES for N-(2-imidazol-1-ylcyclopentyl)azepan-4-amine is c1cn(C2CCCC2NC2CCCNCC2)cn1.
What is the InChIKey of N-(2-imidazol-1-ylcyclopentyl)azepan-4-amine?
The InChIKey is ADJLQBHZRANTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-13(14(5-1)18-10-9-16-11-18)17-12-3-2-7-15-8-6-12/h9-15,17H,1-8H2.
What are the key properties of N-(2-imidazol-1-ylcyclopentyl)azepan-4-amine?
N-(2-imidazol-1-ylcyclopentyl)azepan-4-amine has a molecular weight of 248.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylcyclopentyl)azepan-4-amine is sourced from PubChem (CID 113361486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).