(4S)-4-ethyl-N-methyl-4H-azepin-2-amine

C9H14N2 — CID 166718934

IUPAC(4S)-4-ethyl-N-methyl-4H-azepin-2-amine
SMILESCC[C@H]1C=CC=NC(NC)=C1
InChIInChI=1S/C9H14N2/c1-3-8-5-4-6-11-9(7-8)10-2/h4-8,10H,3H2,1-2H3/t8-/m0/s1
InChIKeyNELPMVIFVVUMLB-QMMMGPOBSA-N
MW150.22 g/mol
LogP1.71
Rot. Bonds2

About (4S)-4-ethyl-N-methyl-4H-azepin-2-amine

(4S)-4-ethyl-N-methyl-4H-azepin-2-amine (PubChem CID 166718934) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (4S)-4-ethyl-N-methyl-4H-azepin-2-amine.

Molecular Properties

Compound Name(4S)-4-ethyl-N-methyl-4H-azepin-2-amine
PubChem CID166718934
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(4S)-4-ethyl-N-methyl-4H-azepin-2-amine
SMILESCC[C@H]1C=CC=NC(NC)=C1
InChIInChI=1S/C9H14N2/c1-3-8-5-4-6-11-9(7-8)10-2/h4-8,10H,3H2,1-2H3/t8-/m0/s1
InChIKeyNELPMVIFVVUMLB-QMMMGPOBSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-2,7-dimethylidene-1H-1,3-diazonine
CID 132191314
4-methyl-4H-azepin-2-amine
CID 142198657
N,4-dimethyl-4H-azepin-2-amine
CID 143729063
(6E)-N,3-dimethyl-4,5-dihydroazocin-2-amine
CID 173764936
(Z)-N-[[[(Z)-pent-2-enylidene]amino]methyl]but-1-en-1-amine
CID 173985765
N-methyl-1-[[(Z)-4-methyl-3-(methylideneamino)pent-2-enylidene]amino]methanamine
CID 174273168
1-N'-[(Z)-2-(ethylideneamino)ethenyl]-1-N-[(1Z,5E)-3-methylhepta-1,5-dienyl]ethene-1,1-diamine
CID 174318397
1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine;molecular hydrogen
CID 176961366
1,3a,4,8a-Tetrahydropyrrolo[2,3-b]azepine
CID 143712177
1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine
CID 176961367
3-ethyl-N-methyl-4H-azepin-2-amine
CID 178162935

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-N-methyl-4H-azepin-2-amine?
The IUPAC name of (4S)-4-ethyl-N-methyl-4H-azepin-2-amine (CID 166718934) is (4S)-4-ethyl-N-methyl-4H-azepin-2-amine.
What is the SMILES notation for (4S)-4-ethyl-N-methyl-4H-azepin-2-amine?
The canonical SMILES for (4S)-4-ethyl-N-methyl-4H-azepin-2-amine is CC[C@H]1C=CC=NC(NC)=C1.
What is the InChIKey of (4S)-4-ethyl-N-methyl-4H-azepin-2-amine?
The InChIKey is NELPMVIFVVUMLB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-8-5-4-6-11-9(7-8)10-2/h4-8,10H,3H2,1-2H3/t8-/m0/s1.
What are the key properties of (4S)-4-ethyl-N-methyl-4H-azepin-2-amine?
(4S)-4-ethyl-N-methyl-4H-azepin-2-amine has a molecular weight of 150.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-N-methyl-4H-azepin-2-amine is sourced from PubChem (CID 166718934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).