2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine

C13H25N — CID 103605044

IUPAC2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
SMILESCC(C)=CCNC1CCCC(C)C1C
InChIInChI=1S/C13H25N/c1-10(2)8-9-14-13-7-5-6-11(3)12(13)4/h8,11-14H,5-7,9H2,1-4H3
InChIKeyFCZGZNBJPMJGKL-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.37
Rot. Bonds3

About 2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine

2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine (PubChem CID 103605044) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
PubChem CID103605044
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
SMILESCC(C)=CCNC1CCCC(C)C1C
InChIInChI=1S/C13H25N/c1-10(2)8-9-14-13-7-5-6-11(3)12(13)4/h8,11-14H,5-7,9H2,1-4H3
InChIKeyFCZGZNBJPMJGKL-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine
CID 104926955
2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine
CID 60688769
2-ethyl-N-(3-methylbut-2-enyl)cyclopentan-1-amine
CID 103522734
(Z)-2-methyl-4-[(2-methylcyclopentyl)amino]but-2-enoic acid
CID 103251304
N'-(2,3-dimethylcyclohexyl)methanediamine
CID 143582027
3-[(2,3-dimethylcyclohexyl)amino]propan-1-ol
CID 60672378
2-[[(2,3-dimethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103234709
2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 106180008
2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 106365327
1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol
CID 115692717
N-(3-methylbut-2-enyl)-2-propan-2-ylcyclohexan-1-amine
CID 107900207
2-methyl-N-(3-methylbut-2-enyl)oxolan-3-amine
CID 103522671

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine (CID 103605044) is 2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine is CC(C)=CCNC1CCCC(C)C1C.
What is the InChIKey of 2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The InChIKey is FCZGZNBJPMJGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)8-9-14-13-7-5-6-11(3)12(13)4/h8,11-14H,5-7,9H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine is sourced from PubChem (CID 103605044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).