3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine

C14H27N — CID 107899966

IUPAC3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine
SMILESCC(C)=CCNCCC1CCCC(C)C1
InChIInChI=1S/C14H27N/c1-12(2)7-9-15-10-8-14-6-4-5-13(3)11-14/h7,13-15H,4-6,8-11H2,1-3H3
InChIKeyRAJTUGMVMZYEBR-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.76
Rot. Bonds5

About 3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine

3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine (PubChem CID 107899966) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine
PubChem CID107899966
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine
SMILESCC(C)=CCNCCC1CCCC(C)C1
InChIInChI=1S/C14H27N/c1-12(2)7-9-15-10-8-14-6-4-5-13(3)11-14/h7,13-15H,4-6,8-11H2,1-3H3
InChIKeyRAJTUGMVMZYEBR-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[2-(4-methylcyclohexyl)ethyl]but-2-en-1-amine
CID 107899968
ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine
CID 145095472
(2S)-1-[2-(3-methylcyclohexyl)ethylamino]propan-2-ol
CID 106932149
4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol
CID 106594675
2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine
CID 114200146
3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine
CID 64753022
N-(2-cyclobutylethyl)-3-methylcyclohexan-1-amine
CID 115690272
N-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine
CID 103179043
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
5-[[2-(3-methylcyclohexyl)ethylamino]methyl]oxolane-2-carboxylic acid
CID 103252796
1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 106188526
1-[(3R)-3-methylcyclohexyl]propan-2-one
CID 130348727

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine?
The IUPAC name of 3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine (CID 107899966) is 3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine is CC(C)=CCNCCC1CCCC(C)C1.
What is the InChIKey of 3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine?
The InChIKey is RAJTUGMVMZYEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-12(2)7-9-15-10-8-14-6-4-5-13(3)11-14/h7,13-15H,4-6,8-11H2,1-3H3.
What are the key properties of 3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine?
3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine is sourced from PubChem (CID 107899966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).