1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine

C14H27N — CID 116660864

IUPAC1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine
SMILESC=CCC(NCC)C1CCC(C)C(C)C1
InChIInChI=1S/C14H27N/c1-5-7-14(15-6-2)13-9-8-11(3)12(4)10-13/h5,11-15H,1,6-10H2,2-4H3
InChIKeyLZTPBDVDEWAMIK-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.61
Rot. Bonds5

About 1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine

1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine (PubChem CID 116660864) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine
PubChem CID116660864
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine
SMILESC=CCC(NCC)C1CCC(C)C(C)C1
InChIInChI=1S/C14H27N/c1-5-7-14(15-6-2)13-9-8-11(3)12(4)10-13/h5,11-15H,1,6-10H2,2-4H3
InChIKeyLZTPBDVDEWAMIK-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
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-(3,4-dimethylcyclohexyl)-N-ethylethanamine
CID 104989257
1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine
CID 105154521
1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 104989443
4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine
CID 64739292
[2-cyclopropyl-1-(3,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105254136
1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 105154585
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine
CID 65405177
1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724854
1-(3,4-dimethylcyclohexyl)-N,2-diethyl-2-methoxybutan-1-amine
CID 116761248
N-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 104989358
1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine
CID 104989433
N-methyl-1-(2-methylcyclopropyl)but-3-en-1-amine
CID 65422775

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine (CID 116660864) is 1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine is C=CCC(NCC)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine?
The InChIKey is LZTPBDVDEWAMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-7-14(15-6-2)13-9-8-11(3)12(4)10-13/h5,11-15H,1,6-10H2,2-4H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine?
1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-N-ethylbut-3-en-1-amine is sourced from PubChem (CID 116660864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).