N-(2,2-dimethylpent-4-enyl)cyclohexanamine

C13H25N — CID 86033794

IUPACN-(2,2-dimethylpent-4-enyl)cyclohexanamine
SMILESC=CCC(C)(C)CNC1CCCCC1
InChIInChI=1S/C13H25N/c1-4-10-13(2,3)11-14-12-8-6-5-7-9-12/h4,12,14H,1,5-11H2,2-3H3
InChIKeySTYFVHGEVBOPBQ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.51
Rot. Bonds5

About N-(2,2-dimethylpent-4-enyl)cyclohexanamine

N-(2,2-dimethylpent-4-enyl)cyclohexanamine (PubChem CID 86033794) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-(2,2-dimethylpent-4-enyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2,2-dimethylpent-4-enyl)cyclohexanamine
PubChem CID86033794
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-(2,2-dimethylpent-4-enyl)cyclohexanamine
SMILESC=CCC(C)(C)CNC1CCCCC1
InChIInChI=1S/C13H25N/c1-4-10-13(2,3)11-14-12-8-6-5-7-9-12/h4,12,14H,1,5-11H2,2-3H3
InChIKeySTYFVHGEVBOPBQ-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpent-4-enyl)cyclohexanamine?
The IUPAC name of N-(2,2-dimethylpent-4-enyl)cyclohexanamine (CID 86033794) is N-(2,2-dimethylpent-4-enyl)cyclohexanamine.
What is the SMILES notation for N-(2,2-dimethylpent-4-enyl)cyclohexanamine?
The canonical SMILES for N-(2,2-dimethylpent-4-enyl)cyclohexanamine is C=CCC(C)(C)CNC1CCCCC1.
What is the InChIKey of N-(2,2-dimethylpent-4-enyl)cyclohexanamine?
The InChIKey is STYFVHGEVBOPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-10-13(2,3)11-14-12-8-6-5-7-9-12/h4,12,14H,1,5-11H2,2-3H3.
What are the key properties of N-(2,2-dimethylpent-4-enyl)cyclohexanamine?
N-(2,2-dimethylpent-4-enyl)cyclohexanamine has a molecular weight of 195.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpent-4-enyl)cyclohexanamine is sourced from PubChem (CID 86033794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).