1-(2,2-dimethylcyclohexyl)-N-ethyl-3-methylbut-2-en-1-amine

C15H29N — CID 107189769

IUPAC1-(2,2-dimethylcyclohexyl)-N-ethyl-3-methylbut-2-en-1-amine
SMILESCCNC(C=C(C)C)C1CCCCC1(C)C
InChIInChI=1S/C15H29N/c1-6-16-14(11-12(2)3)13-9-7-8-10-15(13,4)5/h11,13-14,16H,6-10H2,1-5H3
InChIKeyJFFKVEALCOASAK-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.15
Rot. Bonds4

About 1-(2,2-dimethylcyclohexyl)-N-ethyl-3-methylbut-2-en-1-amine

1-(2,2-dimethylcyclohexyl)-N-ethyl-3-methylbut-2-en-1-amine (PubChem CID 107189769) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-N-ethyl-3-methylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-N-ethyl-3-methylbut-2-en-1-amine
PubChem CID107189769
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name1-(2,2-dimethylcyclohexyl)-N-ethyl-3-methylbut-2-en-1-amine
SMILESCCNC(C=C(C)C)C1CCCCC1(C)C
InChIInChI=1S/C15H29N/c1-6-16-14(11-12(2)3)13-9-7-8-10-15(13,4)5/h11,13-14,16H,6-10H2,1-5H3
InChIKeyJFFKVEALCOASAK-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.15
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-cyclohexyl-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107188282
1-(2,2-dimethylcyclopentyl)-N-ethylpropan-1-amine
CID 79863310
1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 107189744
1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine
CID 107189124
1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine
CID 79852591
N-ethyl-3-methyl-1-(oxan-4-yl)but-2-en-1-amine
CID 79178613
N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 107187850
1-cyclohexyl-N-ethyl-4-methylpent-3-en-2-amine
CID 105004573
N-ethyl-1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-amine
CID 79180441
1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbutan-1-amine
CID 107187753
N-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107191593
N-ethyl-3-methyl-1-(5-methyloxolan-2-yl)but-2-en-1-amine
CID 105004696

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-ethyl-3-methylbut-2-en-1-amine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-ethyl-3-methylbut-2-en-1-amine (CID 107189769) is 1-(2,2-dimethylcyclohexyl)-N-ethyl-3-methylbut-2-en-1-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-N-ethyl-3-methylbut-2-en-1-amine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-N-ethyl-3-methylbut-2-en-1-amine is CCNC(C=C(C)C)C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-N-ethyl-3-methylbut-2-en-1-amine?
The InChIKey is JFFKVEALCOASAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-6-16-14(11-12(2)3)13-9-7-8-10-15(13,4)5/h11,13-14,16H,6-10H2,1-5H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-N-ethyl-3-methylbut-2-en-1-amine?
1-(2,2-dimethylcyclohexyl)-N-ethyl-3-methylbut-2-en-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-N-ethyl-3-methylbut-2-en-1-amine is sourced from PubChem (CID 107189769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).