ethane;3-iminocyclohexen-1-amine

C8H16N2 — CID 165091813

IUPACethane;3-iminocyclohexen-1-amine
SMILESCC.[H]/N=C1/C=C(N)CCC1
InChIInChI=1S/C6H10N2.C2H6/c7-5-2-1-3-6(8)4-5;1-2/h4,7H,1-3,8H2;1-2H3/b7-5+;
InChIKeyWVJUYOSUICRVFK-GZOLSCHFSA-N
MW140.23 g/mol
LogP2.06
Rot. Bonds

About ethane;3-iminocyclohexen-1-amine

ethane;3-iminocyclohexen-1-amine (PubChem CID 165091813) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is ethane;3-iminocyclohexen-1-amine.

Molecular Properties

Compound Nameethane;3-iminocyclohexen-1-amine
PubChem CID165091813
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Nameethane;3-iminocyclohexen-1-amine
SMILESCC.[H]/N=C1/C=C(N)CCC1
InChIInChI=1S/C6H10N2.C2H6/c7-5-2-1-3-6(8)4-5;1-2/h4,7H,1-3,8H2;1-2H3/b7-5+;
InChIKeyWVJUYOSUICRVFK-GZOLSCHFSA-N
XLogP2.06
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.06
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

Aminocyclohexenimine
CID 21517252
3-Amino-2-cyclohexene-1-imine
CID 10855406
3-Imino-5,5-dimethyl-1-cyclohexen-1-amine
CID 55289733
(1E)-6-iminocycloocten-1-amine
CID 59091496
2-chloro-4,6-dipentyl-1H-triazine
CID 88546212
4-Heptyl-3-iminocyclohexa-1,4-dien-1-amine
CID 138512040
(2E,6Z)-6-ethyl-8-imino-7-methylnona-2,6-dien-2-amine
CID 147057622
argon;(1Z)-6-iminocycloocten-1-amine
CID 158172852
5-Imino-4-methylcyclohexa-1,3-dien-1-amine
CID 163822235
3-Iminocyclohexen-1-amine
CID 164974811
N-[1-(6-methyl-3,4-dihydropyridin-2-yl)ethenyl]but-3-en-2-imine
CID 166943409
3-Methyliminocyclohexen-1-amine
CID 167062163

Frequently Asked Questions

What is the IUPAC name of ethane;3-iminocyclohexen-1-amine?
The IUPAC name of ethane;3-iminocyclohexen-1-amine (CID 165091813) is ethane;3-iminocyclohexen-1-amine.
What is the SMILES notation for ethane;3-iminocyclohexen-1-amine?
The canonical SMILES for ethane;3-iminocyclohexen-1-amine is CC.[H]/N=C1/C=C(N)CCC1.
What is the InChIKey of ethane;3-iminocyclohexen-1-amine?
The InChIKey is WVJUYOSUICRVFK-GZOLSCHFSA-N. The full InChI is InChI=1S/C6H10N2.C2H6/c7-5-2-1-3-6(8)4-5;1-2/h4,7H,1-3,8H2;1-2H3/b7-5+;.
What are the key properties of ethane;3-iminocyclohexen-1-amine?
ethane;3-iminocyclohexen-1-amine has a molecular weight of 140.23 g/mol, XLogP of 2.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-iminocyclohexen-1-amine is sourced from PubChem (CID 165091813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).