2-(4H-azepin-6-yl)ethanamine

C8H12N2 — CID 143110202

IUPAC2-(4H-azepin-6-yl)ethanamine
SMILESNCCC1=CCC=CN=C1
InChIInChI=1S/C8H12N2/c9-5-4-8-3-1-2-6-10-7-8/h2-3,6-7H,1,4-5,9H2
InChIKeyLCUKLODGYJBDPB-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.25
Rot. Bonds2

About 2-(4H-azepin-6-yl)ethanamine

2-(4H-azepin-6-yl)ethanamine (PubChem CID 143110202) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-(4H-azepin-6-yl)ethanamine.

Molecular Properties

Compound Name2-(4H-azepin-6-yl)ethanamine
PubChem CID143110202
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-(4H-azepin-6-yl)ethanamine
SMILESNCCC1=CCC=CN=C1
InChIInChI=1S/C8H12N2/c9-5-4-8-3-1-2-6-10-7-8/h2-3,6-7H,1,4-5,9H2
InChIKeyLCUKLODGYJBDPB-UHFFFAOYSA-N
XLogP1.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3H-azepin-5-yl)propan-1-amine
CID 57125134
(E)-4-ethenylimino-2-ethylbut-2-en-1-amine
CID 89270126
1-(4H-azepin-6-yl)-N-methylmethanamine
CID 123396047
(4S)-4,6-dimethylazepin-4-amine
CID 126635623
2-(4H-azepin-5-yl)ethanamine
CID 129037495
(1Z,3Z,5E)-2-methanimidoyl-3-[(Z)-2-(methylideneamino)ethenyl]hepta-1,3,5-trien-1-amine
CID 130329270
4,6-Dimethylazepin-4-amine
CID 132150692
(Z)-2-[[(Z)-2-propan-2-ylbut-2-enylidene]amino]ethenamine
CID 134320939
(5-Amino-5-methylazepin-3-yl)methanediamine
CID 135136125
ethane;(Z)-2-[[(E)-2-methylhex-2-enylidene]amino]ethenamine
CID 141990584
4H-azepin-5-ylmethanamine
CID 142966107
3-[[(Z)-prop-1-enyl]iminomethyl]but-3-en-1-amine
CID 143110053

Frequently Asked Questions

What is the IUPAC name of 2-(4H-azepin-6-yl)ethanamine?
The IUPAC name of 2-(4H-azepin-6-yl)ethanamine (CID 143110202) is 2-(4H-azepin-6-yl)ethanamine.
What is the SMILES notation for 2-(4H-azepin-6-yl)ethanamine?
The canonical SMILES for 2-(4H-azepin-6-yl)ethanamine is NCCC1=CCC=CN=C1.
What is the InChIKey of 2-(4H-azepin-6-yl)ethanamine?
The InChIKey is LCUKLODGYJBDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-5-4-8-3-1-2-6-10-7-8/h2-3,6-7H,1,4-5,9H2.
What are the key properties of 2-(4H-azepin-6-yl)ethanamine?
2-(4H-azepin-6-yl)ethanamine has a molecular weight of 136.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-azepin-6-yl)ethanamine is sourced from PubChem (CID 143110202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).