4-iminocyclohex-2-en-1-amine

C6H10N2 — CID 123227294

IUPAC4-iminocyclohex-2-en-1-amine
SMILES[H]/N=C1/C=CC(N)CC1
InChIInChI=1S/C6H10N2/c7-5-1-2-6(8)4-3-5/h1-2,5,8H,3-4,7H2/b8-6-
InChIKeyCULRUSXVPSCXRL-VURMDHGXSA-N
MW110.16 g/mol
LogP0.68
Rot. Bonds

About 4-iminocyclohex-2-en-1-amine

4-iminocyclohex-2-en-1-amine (PubChem CID 123227294) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 4-iminocyclohex-2-en-1-amine.

Molecular Properties

Compound Name4-iminocyclohex-2-en-1-amine
PubChem CID123227294
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name4-iminocyclohex-2-en-1-amine
SMILES[H]/N=C1/C=CC(N)CC1
InChIInChI=1S/C6H10N2/c7-5-1-2-6(8)4-3-5/h1-2,5,8H,3-4,7H2/b8-6-
InChIKeyCULRUSXVPSCXRL-VURMDHGXSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iminocyclohex-2-en-1-amine?
The IUPAC name of 4-iminocyclohex-2-en-1-amine (CID 123227294) is 4-iminocyclohex-2-en-1-amine.
What is the SMILES notation for 4-iminocyclohex-2-en-1-amine?
The canonical SMILES for 4-iminocyclohex-2-en-1-amine is [H]/N=C1/C=CC(N)CC1.
What is the InChIKey of 4-iminocyclohex-2-en-1-amine?
The InChIKey is CULRUSXVPSCXRL-VURMDHGXSA-N. The full InChI is InChI=1S/C6H10N2/c7-5-1-2-6(8)4-3-5/h1-2,5,8H,3-4,7H2/b8-6-.
What are the key properties of 4-iminocyclohex-2-en-1-amine?
4-iminocyclohex-2-en-1-amine has a molecular weight of 110.16 g/mol, XLogP of 0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminocyclohex-2-en-1-amine is sourced from PubChem (CID 123227294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).