3-methyl-N-[2-(4-methylcyclohexyl)ethyl]but-2-en-1-amine

C14H27N — CID 107899968

IUPAC3-methyl-N-[2-(4-methylcyclohexyl)ethyl]but-2-en-1-amine
SMILESCC(C)=CCNCCC1CCC(C)CC1
InChIInChI=1S/C14H27N/c1-12(2)8-10-15-11-9-14-6-4-13(3)5-7-14/h8,13-15H,4-7,9-11H2,1-3H3
InChIKeyOFWHARPIORJGQA-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.76
Rot. Bonds5

About 3-methyl-N-[2-(4-methylcyclohexyl)ethyl]but-2-en-1-amine

3-methyl-N-[2-(4-methylcyclohexyl)ethyl]but-2-en-1-amine (PubChem CID 107899968) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methylcyclohexyl)ethyl]but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methylcyclohexyl)ethyl]but-2-en-1-amine
PubChem CID107899968
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name3-methyl-N-[2-(4-methylcyclohexyl)ethyl]but-2-en-1-amine
SMILESCC(C)=CCNCCC1CCC(C)CC1
InChIInChI=1S/C14H27N/c1-12(2)8-10-15-11-9-14-6-4-13(3)5-7-14/h8,13-15H,4-7,9-11H2,1-3H3
InChIKeyOFWHARPIORJGQA-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-(3-methylcyclohexyl)ethyl]but-2-en-1-amine
CID 107899966
3-chloro-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]prop-2-en-1-amine
CID 106437789
3-methyl-N-propylbut-2-en-1-amine
CID 55206819
N-(3-methylbut-2-enyl)-4-propylcyclohexan-1-amine
CID 107899807
(2S)-1-[2-(4-methylcyclohexyl)ethylamino]propan-2-ol
CID 106932151
N-[3-(cyclopropylmethoxy)propyl]-3-methylbut-2-en-1-amine
CID 103605831
3-methyl-N-[2-(oxolan-2-yl)ethyl]but-2-en-1-amine
CID 106546965
N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385
N'-(3-methylbut-2-enyl)ethane-1,2-diamine
CID 107899865
1-methyl-4-[3-methyl-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
CID 54111448
N-(3-methylbut-2-enyl)decan-1-amine
CID 107900086
tert-butyl 3-[2-(4-methylcyclohexyl)ethylamino]propanoate
CID 103252764

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methylcyclohexyl)ethyl]but-2-en-1-amine?
The IUPAC name of 3-methyl-N-[2-(4-methylcyclohexyl)ethyl]but-2-en-1-amine (CID 107899968) is 3-methyl-N-[2-(4-methylcyclohexyl)ethyl]but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(4-methylcyclohexyl)ethyl]but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-[2-(4-methylcyclohexyl)ethyl]but-2-en-1-amine is CC(C)=CCNCCC1CCC(C)CC1.
What is the InChIKey of 3-methyl-N-[2-(4-methylcyclohexyl)ethyl]but-2-en-1-amine?
The InChIKey is OFWHARPIORJGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-12(2)8-10-15-11-9-14-6-4-13(3)5-7-14/h8,13-15H,4-7,9-11H2,1-3H3.
What are the key properties of 3-methyl-N-[2-(4-methylcyclohexyl)ethyl]but-2-en-1-amine?
3-methyl-N-[2-(4-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-(4-methylcyclohexyl)ethyl]but-2-en-1-amine is sourced from PubChem (CID 107899968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).