2-(C,N-dimethylcarbonimidoyl)cyclohexen-1-amine

C9H16N2 — CID 66908657

IUPAC2-(C,N-dimethylcarbonimidoyl)cyclohexen-1-amine
SMILESC/N=C(\C)C1=C(N)CCCC1
InChIInChI=1S/C9H16N2/c1-7(11-2)8-5-3-4-6-9(8)10/h3-6,10H2,1-2H3/b11-7+
InChIKeyCLRAODSSTKTIAD-YRNVUSSQSA-N
MW152.24 g/mol
LogP1.86
Rot. Bonds1

About 2-(C,N-dimethylcarbonimidoyl)cyclohexen-1-amine

2-(C,N-dimethylcarbonimidoyl)cyclohexen-1-amine (PubChem CID 66908657) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(C,N-dimethylcarbonimidoyl)cyclohexen-1-amine.

Molecular Properties

Compound Name2-(C,N-dimethylcarbonimidoyl)cyclohexen-1-amine
PubChem CID66908657
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-(C,N-dimethylcarbonimidoyl)cyclohexen-1-amine
SMILESC/N=C(\C)C1=C(N)CCCC1
InChIInChI=1S/C9H16N2/c1-7(11-2)8-5-3-4-6-9(8)10/h3-6,10H2,1-2H3/b11-7+
InChIKeyCLRAODSSTKTIAD-YRNVUSSQSA-N
XLogP1.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
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 2-(C,N-dimethylcarbonimidoyl)cyclohexen-1-amine?
The IUPAC name of 2-(C,N-dimethylcarbonimidoyl)cyclohexen-1-amine (CID 66908657) is 2-(C,N-dimethylcarbonimidoyl)cyclohexen-1-amine.
What is the SMILES notation for 2-(C,N-dimethylcarbonimidoyl)cyclohexen-1-amine?
The canonical SMILES for 2-(C,N-dimethylcarbonimidoyl)cyclohexen-1-amine is C/N=C(\C)C1=C(N)CCCC1.
What is the InChIKey of 2-(C,N-dimethylcarbonimidoyl)cyclohexen-1-amine?
The InChIKey is CLRAODSSTKTIAD-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(11-2)8-5-3-4-6-9(8)10/h3-6,10H2,1-2H3/b11-7+.
What are the key properties of 2-(C,N-dimethylcarbonimidoyl)cyclohexen-1-amine?
2-(C,N-dimethylcarbonimidoyl)cyclohexen-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(C,N-dimethylcarbonimidoyl)cyclohexen-1-amine is sourced from PubChem (CID 66908657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).