N-(3H-azepin-5-ylmethyl)ethanamine

C9H14N2 — CID 142849061

IUPACN-(3H-azepin-5-ylmethyl)ethanamine
SMILESCCNCC1=CCC=NC=C1
InChIInChI=1S/C9H14N2/c1-2-10-8-9-4-3-6-11-7-5-9/h4-7,10H,2-3,8H2,1H3
InChIKeyNHUDTPIAPQKHJK-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.51
Rot. Bonds3

About N-(3H-azepin-5-ylmethyl)ethanamine

N-(3H-azepin-5-ylmethyl)ethanamine (PubChem CID 142849061) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-(3H-azepin-5-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(3H-azepin-5-ylmethyl)ethanamine
PubChem CID142849061
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-(3H-azepin-5-ylmethyl)ethanamine
SMILESCCNCC1=CCC=NC=C1
InChIInChI=1S/C9H14N2/c1-2-10-8-9-4-3-6-11-7-5-9/h4-7,10H,2-3,8H2,1H3
InChIKeyNHUDTPIAPQKHJK-UHFFFAOYSA-N
XLogP1.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3H-azepin-5-ylmethyl)ethanamine?
The IUPAC name of N-(3H-azepin-5-ylmethyl)ethanamine (CID 142849061) is N-(3H-azepin-5-ylmethyl)ethanamine.
What is the SMILES notation for N-(3H-azepin-5-ylmethyl)ethanamine?
The canonical SMILES for N-(3H-azepin-5-ylmethyl)ethanamine is CCNCC1=CCC=NC=C1.
What is the InChIKey of N-(3H-azepin-5-ylmethyl)ethanamine?
The InChIKey is NHUDTPIAPQKHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-10-8-9-4-3-6-11-7-5-9/h4-7,10H,2-3,8H2,1H3.
What are the key properties of N-(3H-azepin-5-ylmethyl)ethanamine?
N-(3H-azepin-5-ylmethyl)ethanamine has a molecular weight of 150.22 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-azepin-5-ylmethyl)ethanamine is sourced from PubChem (CID 142849061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).