4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine

C12H23N — CID 143547151

IUPAC4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine
SMILESC=C1C(N)CC(C)C(C)(CC)C1C
InChIInChI=1S/C12H23N/c1-6-12(5)8(2)7-11(13)9(3)10(12)4/h8,10-11H,3,6-7,13H2,1-2,4-5H3
InChIKeyCDRVWICPMCCYCL-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.96
Rot. Bonds1

About 4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine

4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine (PubChem CID 143547151) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine
PubChem CID143547151
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine
SMILESC=C1C(N)CC(C)C(C)(CC)C1C
InChIInChI=1S/C12H23N/c1-6-12(5)8(2)7-11(13)9(3)10(12)4/h8,10-11H,3,6-7,13H2,1-2,4-5H3
InChIKeyCDRVWICPMCCYCL-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.96
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

(1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane
CID 157314245
(1S,2S,5S)-5-amino-2-butyl-2,3-dimethylcyclopentan-1-ol
CID 166652278
1-ethyl-1,2-dimethyl-4-propan-2-ylidenecyclobutane
CID 91173457
(1R,2R,3S,4S)-3-ethyl-3-methylbicyclo[2.2.1]heptan-2-amine
CID 164833686
(1R,3S,5S)-3-ethyl-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
CID 90954525
6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane
CID 143720874
1-(1-ethyl-2,2,3-trimethyl-4-methylidenecyclopentyl)ethenol
CID 143539259
2-ethyl-2-methyladamantane
CID 21349236
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629
1-ethyl-2-methylpyrrolidine-2,3-diamine
CID 68953775
4-ethyl-4-methyltricyclo[4.2.1.02,5]nonan-3-amine
CID 81496525

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine?
The IUPAC name of 4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine (CID 143547151) is 4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine?
The canonical SMILES for 4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine is C=C1C(N)CC(C)C(C)(CC)C1C.
What is the InChIKey of 4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine?
The InChIKey is CDRVWICPMCCYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-6-12(5)8(2)7-11(13)9(3)10(12)4/h8,10-11H,3,6-7,13H2,1-2,4-5H3.
What are the key properties of 4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine?
4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine is sourced from PubChem (CID 143547151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).