N,5,5-trimethyl-3-methyliminocyclohexen-1-amine

C10H18N2 — CID 5179437

IUPACN,5,5-trimethyl-3-methyliminocyclohexen-1-amine
SMILESC/N=C1\C=C(NC)CC(C)(C)C1
InChIInChI=1S/C10H18N2/c1-10(2)6-8(11-3)5-9(7-10)12-4/h5,11H,6-7H2,1-4H3/b12-9+
InChIKeyOZGLSVGOXBCGCP-FMIVXFBMSA-N
MW166.27 g/mol
LogP1.98
Rot. Bonds1

About N,5,5-trimethyl-3-methyliminocyclohexen-1-amine

N,5,5-trimethyl-3-methyliminocyclohexen-1-amine (PubChem CID 5179437) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N,5,5-trimethyl-3-methyliminocyclohexen-1-amine.

Molecular Properties

Compound NameN,5,5-trimethyl-3-methyliminocyclohexen-1-amine
PubChem CID5179437
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN,5,5-trimethyl-3-methyliminocyclohexen-1-amine
SMILESC/N=C1\C=C(NC)CC(C)(C)C1
InChIInChI=1S/C10H18N2/c1-10(2)6-8(11-3)5-9(7-10)12-4/h5,11H,6-7H2,1-4H3/b12-9+
InChIKeyOZGLSVGOXBCGCP-FMIVXFBMSA-N
XLogP1.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.98
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 N,5,5-trimethyl-3-methyliminocyclohexen-1-amine?
The IUPAC name of N,5,5-trimethyl-3-methyliminocyclohexen-1-amine (CID 5179437) is N,5,5-trimethyl-3-methyliminocyclohexen-1-amine.
What is the SMILES notation for N,5,5-trimethyl-3-methyliminocyclohexen-1-amine?
The canonical SMILES for N,5,5-trimethyl-3-methyliminocyclohexen-1-amine is C/N=C1\C=C(NC)CC(C)(C)C1.
What is the InChIKey of N,5,5-trimethyl-3-methyliminocyclohexen-1-amine?
The InChIKey is OZGLSVGOXBCGCP-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(2)6-8(11-3)5-9(7-10)12-4/h5,11H,6-7H2,1-4H3/b12-9+.
What are the key properties of N,5,5-trimethyl-3-methyliminocyclohexen-1-amine?
N,5,5-trimethyl-3-methyliminocyclohexen-1-amine has a molecular weight of 166.27 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethyl-3-methyliminocyclohexen-1-amine is sourced from PubChem (CID 5179437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).