1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine

C15H29N — CID 79185954

IUPAC1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(NCC)C1CCC(C)(C)CC1
InChIInChI=1S/C15H29N/c1-6-16-14(11-12(2)3)13-7-9-15(4,5)10-8-13/h13-14,16H,2,6-11H2,1,3-5H3
InChIKeyIDZKYZXMEBEDOZ-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.15
Rot. Bonds5

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

1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine (PubChem CID 79185954) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine
PubChem CID79185954
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(NCC)C1CCC(C)(C)CC1
InChIInChI=1S/C15H29N/c1-6-16-14(11-12(2)3)13-7-9-15(4,5)10-8-13/h13-14,16H,2,6-11H2,1,3-5H3
InChIKeyIDZKYZXMEBEDOZ-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine (CID 79185954) is 1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine is C=C(C)CC(NCC)C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine?
The InChIKey is IDZKYZXMEBEDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-6-16-14(11-12(2)3)13-7-9-15(4,5)10-8-13/h13-14,16H,2,6-11H2,1,3-5H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine?
1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine is sourced from PubChem (CID 79185954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).