3-iminocyclohexen-1-amine

C12H20N4 — CID 164974811

IUPAC3-iminocyclohexen-1-amine
SMILES[H]/N=C1/C=C(N)CCC1.[H]/N=C1/C=C(N)CCC1
InChIInChI=1S/2C6H10N2/c2*7-5-2-1-3-6(8)4-5/h2*4,7H,1-3,8H2/b2*7-5+
InChIKeyDPXJKJYZHXOWFD-KWXHBDSUSA-N
MW220.32 g/mol
LogP2.07
Rot. Bonds

About 3-iminocyclohexen-1-amine

3-iminocyclohexen-1-amine (PubChem CID 164974811) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-iminocyclohexen-1-amine.

Molecular Properties

Compound Name3-iminocyclohexen-1-amine
PubChem CID164974811
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name3-iminocyclohexen-1-amine
SMILES[H]/N=C1/C=C(N)CCC1.[H]/N=C1/C=C(N)CCC1
InChIInChI=1S/2C6H10N2/c2*7-5-2-1-3-6(8)4-5/h2*4,7H,1-3,8H2/b2*7-5+
InChIKeyDPXJKJYZHXOWFD-KWXHBDSUSA-N
XLogP2.07
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 3-iminocyclohexen-1-amine?
The IUPAC name of 3-iminocyclohexen-1-amine (CID 164974811) 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.[H]/N=C1/C=C(N)CCC1.
What is the InChIKey of 3-iminocyclohexen-1-amine?
The InChIKey is DPXJKJYZHXOWFD-KWXHBDSUSA-N. The full InChI is InChI=1S/2C6H10N2/c2*7-5-2-1-3-6(8)4-5/h2*4,7H,1-3,8H2/b2*7-5+.
What are the key properties of 3-iminocyclohexen-1-amine?
3-iminocyclohexen-1-amine has a molecular weight of 220.32 g/mol, XLogP of 2.07, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminocyclohexen-1-amine is sourced from PubChem (CID 164974811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).