3-imino-5,5-dimethylcyclohexen-1-amine

C8H14N2 — CID 55289733

IUPAC3-imino-5,5-dimethylcyclohexen-1-amine
SMILES[H]/N=C1\C=C(N)CC(C)(C)C1
InChIInChI=1S/C8H14N2/c1-8(2)4-6(9)3-7(10)5-8/h3,9H,4-5,10H2,1-2H3/b9-6+
InChIKeyHVRRYLZCJXLRDU-RMKNXTFCSA-N
MW138.21 g/mol
LogP1.67
Rot. Bonds

About 3-imino-5,5-dimethylcyclohexen-1-amine

3-imino-5,5-dimethylcyclohexen-1-amine (PubChem CID 55289733) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-imino-5,5-dimethylcyclohexen-1-amine.

Molecular Properties

Compound Name3-imino-5,5-dimethylcyclohexen-1-amine
PubChem CID55289733
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-imino-5,5-dimethylcyclohexen-1-amine
SMILES[H]/N=C1\C=C(N)CC(C)(C)C1
InChIInChI=1S/C8H14N2/c1-8(2)4-6(9)3-7(10)5-8/h3,9H,4-5,10H2,1-2H3/b9-6+
InChIKeyHVRRYLZCJXLRDU-RMKNXTFCSA-N
XLogP1.67
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.67
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 3-imino-5,5-dimethylcyclohexen-1-amine?
The IUPAC name of 3-imino-5,5-dimethylcyclohexen-1-amine (CID 55289733) is 3-imino-5,5-dimethylcyclohexen-1-amine.
What is the SMILES notation for 3-imino-5,5-dimethylcyclohexen-1-amine?
The canonical SMILES for 3-imino-5,5-dimethylcyclohexen-1-amine is [H]/N=C1\C=C(N)CC(C)(C)C1.
What is the InChIKey of 3-imino-5,5-dimethylcyclohexen-1-amine?
The InChIKey is HVRRYLZCJXLRDU-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2)4-6(9)3-7(10)5-8/h3,9H,4-5,10H2,1-2H3/b9-6+.
What are the key properties of 3-imino-5,5-dimethylcyclohexen-1-amine?
3-imino-5,5-dimethylcyclohexen-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-5,5-dimethylcyclohexen-1-amine is sourced from PubChem (CID 55289733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).