3-ethyl-N-methyl-4H-azepin-2-amine

C9H14N2 — CID 178162935

IUPAC3-ethyl-N-methyl-4H-azepin-2-amine
SMILESCCC1=C(NC)N=CC=CC1
InChIInChI=1S/C9H14N2/c1-3-8-6-4-5-7-11-9(8)10-2/h4-5,7,10H,3,6H2,1-2H3
InChIKeyOIVFLAHAXXQYDY-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.86
Rot. Bonds2

About 3-ethyl-N-methyl-4H-azepin-2-amine

3-ethyl-N-methyl-4H-azepin-2-amine (PubChem CID 178162935) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-ethyl-N-methyl-4H-azepin-2-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-4H-azepin-2-amine
PubChem CID178162935
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-ethyl-N-methyl-4H-azepin-2-amine
SMILESCCC1=C(NC)N=CC=CC1
InChIInChI=1S/C9H14N2/c1-3-8-6-4-5-7-11-9(8)10-2/h4-5,7,10H,3,6H2,1-2H3
InChIKeyOIVFLAHAXXQYDY-UHFFFAOYSA-N
XLogP1.86
TPSA24.39 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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine
CID 118719543
[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine
CID 172018331
Methyl-[2-methyl-1-(methylamino)hexa-1,4-dienyl]-propylideneazanium
CID 123459753
8-methyl-2,7-dimethylidene-1H-1,3-diazonine
CID 132191314
ethane;2-ethyl-N-methyl-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine
CID 141904448
(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]-N,2-dimethylbut-1-en-1-amine
CID 142119780
2-(4H-azepin-5-yl)-N-methylethanamine
CID 142207046
1-[(Z)-[(2Z,5Z)-hepta-2,5-dienylidene]amino]-N,2-dimethylprop-2-en-1-amine
CID 142249081
7-[(E)-but-2-enyl]-3-ethyl-N-methyl-4H-azepin-2-amine;ethane;molecular hydrogen
CID 142302262
N,6-dimethyl-3-prop-2-enyl-4H-azepin-2-amine
CID 143711834
ethene;N-ethyl-3,6-dimethyl-4H-azepin-2-amine
CID 143712104
N,4-dimethyl-4H-azepin-2-amine
CID 143729063

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-4H-azepin-2-amine?
The IUPAC name of 3-ethyl-N-methyl-4H-azepin-2-amine (CID 178162935) is 3-ethyl-N-methyl-4H-azepin-2-amine.
What is the SMILES notation for 3-ethyl-N-methyl-4H-azepin-2-amine?
The canonical SMILES for 3-ethyl-N-methyl-4H-azepin-2-amine is CCC1=C(NC)N=CC=CC1.
What is the InChIKey of 3-ethyl-N-methyl-4H-azepin-2-amine?
The InChIKey is OIVFLAHAXXQYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-8-6-4-5-7-11-9(8)10-2/h4-5,7,10H,3,6H2,1-2H3.
What are the key properties of 3-ethyl-N-methyl-4H-azepin-2-amine?
3-ethyl-N-methyl-4H-azepin-2-amine has a molecular weight of 150.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-4H-azepin-2-amine is sourced from PubChem (CID 178162935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).