1-(6-iminocyclohexen-1-yl)ethanamine

C8H14N2 — CID 123374353

IUPAC1-(6-iminocyclohexen-1-yl)ethanamine
SMILES[H]/N=C1\CCCC=C1C(C)N
InChIInChI=1S/C8H14N2/c1-6(9)7-4-2-3-5-8(7)10/h4,6,10H,2-3,5,9H2,1H3/b10-8+
InChIKeyOTTUVZMECYLXIW-CSKARUKUSA-N
MW138.21 g/mol
LogP1.46
Rot. Bonds1

About 1-(6-iminocyclohexen-1-yl)ethanamine

1-(6-iminocyclohexen-1-yl)ethanamine (PubChem CID 123374353) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(6-iminocyclohexen-1-yl)ethanamine.

Molecular Properties

Compound Name1-(6-iminocyclohexen-1-yl)ethanamine
PubChem CID123374353
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-(6-iminocyclohexen-1-yl)ethanamine
SMILES[H]/N=C1\CCCC=C1C(C)N
InChIInChI=1S/C8H14N2/c1-6(9)7-4-2-3-5-8(7)10/h4,6,10H,2-3,5,9H2,1H3/b10-8+
InChIKeyOTTUVZMECYLXIW-CSKARUKUSA-N
XLogP1.46
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.46
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

1-(Cyclohex-1-en-1-yl)ethan-1-amine
CID 45791128
(1R)-1-(cyclohexen-1-yl)ethanamine
CID 28064275
(1S)-1-(cyclohexen-1-yl)ethanamine
CID 28064277
2-Ethylcyclohex-2-en-1-amine
CID 13521595
4-Diazo-2,3-diethylcyclohexa-2,5-dien-1-amine
CID 20209398
6-Imino-8-methyl-5-(2-methylpropylidene)nonan-1-amine
CID 53951183
3-Ethyl-cyclohex-2-enylamine
CID 55285106
2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine
CID 88976714
(E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine
CID 89271099
6-Imino-2,5-dimethylcyclohexa-2,4-dien-1-amine
CID 89331862
3-methyl-5,6,7,7a-tetrahydro-1H-indazole
CID 89483822
3,4-Diethyl-2-iminocyclooct-3-en-1-amine
CID 90798400

Frequently Asked Questions

What is the IUPAC name of 1-(6-iminocyclohexen-1-yl)ethanamine?
The IUPAC name of 1-(6-iminocyclohexen-1-yl)ethanamine (CID 123374353) is 1-(6-iminocyclohexen-1-yl)ethanamine.
What is the SMILES notation for 1-(6-iminocyclohexen-1-yl)ethanamine?
The canonical SMILES for 1-(6-iminocyclohexen-1-yl)ethanamine is [H]/N=C1\CCCC=C1C(C)N.
What is the InChIKey of 1-(6-iminocyclohexen-1-yl)ethanamine?
The InChIKey is OTTUVZMECYLXIW-CSKARUKUSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(9)7-4-2-3-5-8(7)10/h4,6,10H,2-3,5,9H2,1H3/b10-8+.
What are the key properties of 1-(6-iminocyclohexen-1-yl)ethanamine?
1-(6-iminocyclohexen-1-yl)ethanamine has a molecular weight of 138.21 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-iminocyclohexen-1-yl)ethanamine is sourced from PubChem (CID 123374353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).