N-tert-butyl-5,5-dimethyl-3-methyliminocyclohexen-1-amine

C13H24N2 — CID 11131488

IUPACN-tert-butyl-5,5-dimethyl-3-methyliminocyclohexen-1-amine
SMILESC/N=C1/C=C(NC(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C13H24N2/c1-12(2,3)15-11-7-10(14-6)8-13(4,5)9-11/h7,15H,8-9H2,1-6H3/b14-10-
InChIKeyGNJDUSLWENYLID-UVTDQMKNSA-N
MW208.35 g/mol
LogP3.15
Rot. Bonds1

About N-tert-butyl-5,5-dimethyl-3-methyliminocyclohexen-1-amine

N-tert-butyl-5,5-dimethyl-3-methyliminocyclohexen-1-amine (PubChem CID 11131488) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-tert-butyl-5,5-dimethyl-3-methyliminocyclohexen-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5,5-dimethyl-3-methyliminocyclohexen-1-amine
PubChem CID11131488
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-tert-butyl-5,5-dimethyl-3-methyliminocyclohexen-1-amine
SMILESC/N=C1/C=C(NC(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C13H24N2/c1-12(2,3)15-11-7-10(14-6)8-13(4,5)9-11/h7,15H,8-9H2,1-6H3/b14-10-
InChIKeyGNJDUSLWENYLID-UVTDQMKNSA-N
XLogP3.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.15
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-tert-butyl-5,5-dimethyl-3-methyliminocyclohexen-1-amine?
The IUPAC name of N-tert-butyl-5,5-dimethyl-3-methyliminocyclohexen-1-amine (CID 11131488) is N-tert-butyl-5,5-dimethyl-3-methyliminocyclohexen-1-amine.
What is the SMILES notation for N-tert-butyl-5,5-dimethyl-3-methyliminocyclohexen-1-amine?
The canonical SMILES for N-tert-butyl-5,5-dimethyl-3-methyliminocyclohexen-1-amine is C/N=C1/C=C(NC(C)(C)C)CC(C)(C)C1.
What is the InChIKey of N-tert-butyl-5,5-dimethyl-3-methyliminocyclohexen-1-amine?
The InChIKey is GNJDUSLWENYLID-UVTDQMKNSA-N. The full InChI is InChI=1S/C13H24N2/c1-12(2,3)15-11-7-10(14-6)8-13(4,5)9-11/h7,15H,8-9H2,1-6H3/b14-10-.
What are the key properties of N-tert-butyl-5,5-dimethyl-3-methyliminocyclohexen-1-amine?
N-tert-butyl-5,5-dimethyl-3-methyliminocyclohexen-1-amine has a molecular weight of 208.35 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5,5-dimethyl-3-methyliminocyclohexen-1-amine is sourced from PubChem (CID 11131488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).