3-iminocyclohexen-1-amine

C6H10N2 — CID 10855406

IUPAC3-iminocyclohexen-1-amine
SMILES[H]/N=C1/C=C(N)CCC1
InChIInChI=1S/C6H10N2/c7-5-2-1-3-6(8)4-5/h4,7H,1-3,8H2/b7-5+
InChIKeyQOCIBBGZCNYBNC-FNORWQNLSA-N
MW110.16 g/mol
LogP1.03
Rot. Bonds

About 3-iminocyclohexen-1-amine

3-iminocyclohexen-1-amine (PubChem CID 10855406) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-iminocyclohexen-1-amine.

Molecular Properties

Compound Name3-iminocyclohexen-1-amine
PubChem CID10855406
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3-iminocyclohexen-1-amine
SMILES[H]/N=C1/C=C(N)CCC1
InChIInChI=1S/C6H10N2/c7-5-2-1-3-6(8)4-5/h4,7H,1-3,8H2/b7-5+
InChIKeyQOCIBBGZCNYBNC-FNORWQNLSA-N
XLogP1.03
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.03
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
(1E)-6-iminocycloocten-1-amine
CID 59091496
(Z)-4-iminohex-2-en-2-amine
CID 89240742
(Z)-4-iminohex-2-en-2-amine;molecular hydrogen
CID 143926317
4-Iminohex-2-en-2-amine
CID 147619512
N-(2-aminocyclohex-2-en-1-ylidene)hydroxylamine
CID 153717537
argon;(1Z)-6-iminocycloocten-1-amine
CID 158172852
3-Nitrosocyclohex-2-en-1-imine
CID 163801161
5-Imino-4-methylcyclohexa-1,3-dien-1-amine
CID 163822235
3-Iminocyclohexen-1-amine
CID 164974811
Ethane;3-iminocyclohexen-1-amine
CID 165091813
(Z)-5-iminohept-3-en-3-amine
CID 166833734

Frequently Asked Questions

What is the IUPAC name of 3-iminocyclohexen-1-amine?
The IUPAC name of 3-iminocyclohexen-1-amine (CID 10855406) is 3-iminocyclohexen-1-amine.
What is the SMILES notation for 3-iminocyclohexen-1-amine?
The canonical SMILES for 3-iminocyclohexen-1-amine is [H]/N=C1/C=C(N)CCC1.
What is the InChIKey of 3-iminocyclohexen-1-amine?
The InChIKey is QOCIBBGZCNYBNC-FNORWQNLSA-N. The full InChI is InChI=1S/C6H10N2/c7-5-2-1-3-6(8)4-5/h4,7H,1-3,8H2/b7-5+.
What are the key properties of 3-iminocyclohexen-1-amine?
3-iminocyclohexen-1-amine has a molecular weight of 110.16 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminocyclohexen-1-amine is sourced from PubChem (CID 10855406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).