N-(azepan-4-ylmethyl)propan-2-amine

C10H22N2 — CID 21024109

IUPACN-(azepan-4-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CCCNCC1
InChIInChI=1S/C10H22N2/c1-9(2)12-8-10-4-3-6-11-7-5-10/h9-12H,3-8H2,1-2H3
InChIKeyBFWLTRVFOGOYDU-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.37
Rot. Bonds3

About N-(azepan-4-ylmethyl)propan-2-amine

N-(azepan-4-ylmethyl)propan-2-amine (PubChem CID 21024109) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-(azepan-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(azepan-4-ylmethyl)propan-2-amine
PubChem CID21024109
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-(azepan-4-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CCCNCC1
InChIInChI=1S/C10H22N2/c1-9(2)12-8-10-4-3-6-11-7-5-10/h9-12H,3-8H2,1-2H3
InChIKeyBFWLTRVFOGOYDU-UHFFFAOYSA-N
XLogP1.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-ylmethyl)propan-2-amine?
The IUPAC name of N-(azepan-4-ylmethyl)propan-2-amine (CID 21024109) is N-(azepan-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(azepan-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-(azepan-4-ylmethyl)propan-2-amine is CC(C)NCC1CCCNCC1.
What is the InChIKey of N-(azepan-4-ylmethyl)propan-2-amine?
The InChIKey is BFWLTRVFOGOYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(2)12-8-10-4-3-6-11-7-5-10/h9-12H,3-8H2,1-2H3.
What are the key properties of N-(azepan-4-ylmethyl)propan-2-amine?
N-(azepan-4-ylmethyl)propan-2-amine has a molecular weight of 170.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 21024109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).