N-[2-(1,4-diazepan-1-yl)ethyl]-3-methylcyclopentan-1-amine

C13H27N3 — CID 114547241

IUPACN-[2-(1,4-diazepan-1-yl)ethyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(NCCN2CCCNCC2)C1
InChIInChI=1S/C13H27N3/c1-12-3-4-13(11-12)15-7-10-16-8-2-5-14-6-9-16/h12-15H,2-11H2,1H3
InChIKeyUVWWTIMIBYRZEB-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.06
Rot. Bonds4

About N-[2-(1,4-diazepan-1-yl)ethyl]-3-methylcyclopentan-1-amine

N-[2-(1,4-diazepan-1-yl)ethyl]-3-methylcyclopentan-1-amine (PubChem CID 114547241) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[2-(1,4-diazepan-1-yl)ethyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-(1,4-diazepan-1-yl)ethyl]-3-methylcyclopentan-1-amine
PubChem CID114547241
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-[2-(1,4-diazepan-1-yl)ethyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(NCCN2CCCNCC2)C1
InChIInChI=1S/C13H27N3/c1-12-3-4-13(11-12)15-7-10-16-8-2-5-14-6-9-16/h12-15H,2-11H2,1H3
InChIKeyUVWWTIMIBYRZEB-UHFFFAOYSA-N
XLogP1.06
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-diazepan-1-yl)ethyl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[2-(1,4-diazepan-1-yl)ethyl]-3-methylcyclopentan-1-amine (CID 114547241) is N-[2-(1,4-diazepan-1-yl)ethyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[2-(1,4-diazepan-1-yl)ethyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[2-(1,4-diazepan-1-yl)ethyl]-3-methylcyclopentan-1-amine is CC1CCC(NCCN2CCCNCC2)C1.
What is the InChIKey of N-[2-(1,4-diazepan-1-yl)ethyl]-3-methylcyclopentan-1-amine?
The InChIKey is UVWWTIMIBYRZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-12-3-4-13(11-12)15-7-10-16-8-2-5-14-6-9-16/h12-15H,2-11H2,1H3.
What are the key properties of N-[2-(1,4-diazepan-1-yl)ethyl]-3-methylcyclopentan-1-amine?
N-[2-(1,4-diazepan-1-yl)ethyl]-3-methylcyclopentan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-diazepan-1-yl)ethyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 114547241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).