1-(azepin-1-yl)-N-methylethanamine

C9H14N2 — CID 123781166

IUPAC1-(azepin-1-yl)-N-methylethanamine
SMILESCNC(C)N1C=CC=CC=C1
InChIInChI=1S/C9H14N2/c1-9(10-2)11-7-5-3-4-6-8-11/h3-10H,1-2H3
InChIKeyQUWQRVYEKBCOBL-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.45
Rot. Bonds2

About 1-(azepin-1-yl)-N-methylethanamine

1-(azepin-1-yl)-N-methylethanamine (PubChem CID 123781166) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(azepin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(azepin-1-yl)-N-methylethanamine
PubChem CID123781166
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-(azepin-1-yl)-N-methylethanamine
SMILESCNC(C)N1C=CC=CC=C1
InChIInChI=1S/C9H14N2/c1-9(10-2)11-7-5-3-4-6-8-11/h3-10H,1-2H3
InChIKeyQUWQRVYEKBCOBL-UHFFFAOYSA-N
XLogP1.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Aminoazepine
CID 22390911
CID 139242687
CID 139242687
(4Z,6Z,8Z)-2,3-dihydro-1H-1,3-diazonine
CID 139242703
N,N,5-trimethyl-1H-azepin-2-amine
CID 159277196
N-allylazepin-2-amine
CID 162393129
1-methyl-2H-pyridin-2-amine
CID 415070
N,N-dimethyl-1,2-dihydropyridin-2-amine
CID 18974920
N-methyl-1,2-dihydropyridin-2-amine
CID 22019611
1H-azepin-2-amine;hydrobromide
CID 23087815
1H-Imidazo[1,2-A]azepine
CID 45087531
2-N,2-N'-dimethyl-1H-pyridine-2,2-diamine
CID 55298777
N,1,1-trimethyl-2H-pyridin-1-ium-6-amine
CID 56612487

Frequently Asked Questions

What is the IUPAC name of 1-(azepin-1-yl)-N-methylethanamine?
The IUPAC name of 1-(azepin-1-yl)-N-methylethanamine (CID 123781166) is 1-(azepin-1-yl)-N-methylethanamine.
What is the SMILES notation for 1-(azepin-1-yl)-N-methylethanamine?
The canonical SMILES for 1-(azepin-1-yl)-N-methylethanamine is CNC(C)N1C=CC=CC=C1.
What is the InChIKey of 1-(azepin-1-yl)-N-methylethanamine?
The InChIKey is QUWQRVYEKBCOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-9(10-2)11-7-5-3-4-6-8-11/h3-10H,1-2H3.
What are the key properties of 1-(azepin-1-yl)-N-methylethanamine?
1-(azepin-1-yl)-N-methylethanamine has a molecular weight of 150.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepin-1-yl)-N-methylethanamine is sourced from PubChem (CID 123781166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).