1-(5-imino-6-methylcyclohex-3-en-1-yl)ethanamine

C9H16N2 — CID 123217836

IUPAC1-(5-imino-6-methylcyclohex-3-en-1-yl)ethanamine
SMILES[H]/N=C1\C=CCC(C(C)N)C1C
InChIInChI=1S/C9H16N2/c1-6-8(7(2)10)4-3-5-9(6)11/h3,5-8,11H,4,10H2,1-2H3/b11-9+
InChIKeyLAYLYGWARHOKQF-PKNBQFBNSA-N
MW152.24 g/mol
LogP1.57
Rot. Bonds1

About 1-(5-imino-6-methylcyclohex-3-en-1-yl)ethanamine

1-(5-imino-6-methylcyclohex-3-en-1-yl)ethanamine (PubChem CID 123217836) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(5-imino-6-methylcyclohex-3-en-1-yl)ethanamine.

Molecular Properties

Compound Name1-(5-imino-6-methylcyclohex-3-en-1-yl)ethanamine
PubChem CID123217836
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-(5-imino-6-methylcyclohex-3-en-1-yl)ethanamine
SMILES[H]/N=C1\C=CCC(C(C)N)C1C
InChIInChI=1S/C9H16N2/c1-6-8(7(2)10)4-3-5-9(6)11/h3,5-8,11H,4,10H2,1-2H3/b11-9+
InChIKeyLAYLYGWARHOKQF-PKNBQFBNSA-N
XLogP1.57
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-Fluoro-2-imino-6-methylcyclohex-3-en-1-amine
CID 91117964
(Z)-9-fluoro-4-imino-9,10,10-trimethylundec-5-en-3-amine
CID 123996535
(4E,6E,8E)-6-ethanimidoyl-4-fluoro-11-methyl-3-propyldodeca-4,6,8,10-tetraen-2-amine
CID 167083150
5,6-Dimethylcyclohex-3-ene-1,2-diamine
CID 69547500
1-(6-Methylcyclohex-3-en-1-yl)ethanamine
CID 69934680
2-Imino-2-(6-methylcyclohex-3-en-1-yl)ethanamine
CID 89074104
2-imino-2-[(6S)-6-methylcyclohex-3-en-1-yl]ethanamine
CID 89153885
1-(6-Methylcyclohex-3-en-1-yl)ethane-1,2-diamine
CID 89153977
3-Imino-5-methyloct-7-en-2-amine
CID 90277713
Cyclopropyl-(3-methyl-2,3-dihydropyridin-6-yl)methanamine
CID 91269933
(Z)-3-ethyl-4-methyliminonon-5-en-1-amine
CID 91420602
4-Imino-5,6-dimethylcyclohex-2-en-1-amine
CID 123143860

Frequently Asked Questions

What is the IUPAC name of 1-(5-imino-6-methylcyclohex-3-en-1-yl)ethanamine?
The IUPAC name of 1-(5-imino-6-methylcyclohex-3-en-1-yl)ethanamine (CID 123217836) is 1-(5-imino-6-methylcyclohex-3-en-1-yl)ethanamine.
What is the SMILES notation for 1-(5-imino-6-methylcyclohex-3-en-1-yl)ethanamine?
The canonical SMILES for 1-(5-imino-6-methylcyclohex-3-en-1-yl)ethanamine is [H]/N=C1\C=CCC(C(C)N)C1C.
What is the InChIKey of 1-(5-imino-6-methylcyclohex-3-en-1-yl)ethanamine?
The InChIKey is LAYLYGWARHOKQF-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-8(7(2)10)4-3-5-9(6)11/h3,5-8,11H,4,10H2,1-2H3/b11-9+.
What are the key properties of 1-(5-imino-6-methylcyclohex-3-en-1-yl)ethanamine?
1-(5-imino-6-methylcyclohex-3-en-1-yl)ethanamine has a molecular weight of 152.24 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-imino-6-methylcyclohex-3-en-1-yl)ethanamine is sourced from PubChem (CID 123217836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).