2-(4H-azepin-5-yl)-N-methylethanamine

C9H14N2 — CID 142207046

IUPAC2-(4H-azepin-5-yl)-N-methylethanamine
SMILESCNCCC1=CC=NC=CC1
InChIInChI=1S/C9H14N2/c1-10-7-4-9-3-2-6-11-8-5-9/h2,5-6,8,10H,3-4,7H2,1H3
InChIKeyHNDIARLJORQWFY-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.51
Rot. Bonds3

About 2-(4H-azepin-5-yl)-N-methylethanamine

2-(4H-azepin-5-yl)-N-methylethanamine (PubChem CID 142207046) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(4H-azepin-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4H-azepin-5-yl)-N-methylethanamine
PubChem CID142207046
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-(4H-azepin-5-yl)-N-methylethanamine
SMILESCNCCC1=CC=NC=CC1
InChIInChI=1S/C9H14N2/c1-10-7-4-9-3-2-6-11-8-5-9/h2,5-6,8,10H,3-4,7H2,1H3
InChIKeyHNDIARLJORQWFY-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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Related Compounds

3-(3H-azepin-5-yl)propan-1-amine
CID 57125134
1-(4H-azepin-6-yl)-N-methylmethanamine
CID 123396047
3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine
CID 123947708
2-(4H-azepin-5-yl)ethanamine
CID 129037495
1,2,3,4-Tetrahydropyrrolo[2,3-c]azepine
CID 140375966
(Z)-N-(2,2-dimethylpropyl)-5-(ethenyliminomethyl)hept-5-en-1-amine
CID 141869235
2-(1-azacyclohepta-1,3,5,6-tetraen-4-yl)-N-methylethanamine
CID 142206584
N-methyl-1-(4-methylazepin-4-yl)methanamine
CID 143058955
(E)-3-ethyl-N-methyl-5-methyliminopent-3-en-1-amine
CID 143147779
(3-methyl-4H-azepin-5-yl)methanamine
CID 143898415
1-(4H-azepin-5-yl)-N-methylmethanamine
CID 143940430
N-[(E)-2-[(2-methylcyclohepta-1,5-dien-1-yl)methylideneamino]ethenyl]but-1-en-2-amine
CID 144222188

Frequently Asked Questions

What is the IUPAC name of 2-(4H-azepin-5-yl)-N-methylethanamine?
The IUPAC name of 2-(4H-azepin-5-yl)-N-methylethanamine (CID 142207046) is 2-(4H-azepin-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4H-azepin-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(4H-azepin-5-yl)-N-methylethanamine is CNCCC1=CC=NC=CC1.
What is the InChIKey of 2-(4H-azepin-5-yl)-N-methylethanamine?
The InChIKey is HNDIARLJORQWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-10-7-4-9-3-2-6-11-8-5-9/h2,5-6,8,10H,3-4,7H2,1H3.
What are the key properties of 2-(4H-azepin-5-yl)-N-methylethanamine?
2-(4H-azepin-5-yl)-N-methylethanamine 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 2-(4H-azepin-5-yl)-N-methylethanamine is sourced from PubChem (CID 142207046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).