2-(4-ethyl-2-propan-2-ylcyclohexen-1-yl)propan-2-amine

C14H27N — CID 162712682

IUPAC2-(4-ethyl-2-propan-2-ylcyclohexen-1-yl)propan-2-amine
SMILESCCC1CCC(C(C)(C)N)=C(C(C)C)C1
InChIInChI=1S/C14H27N/c1-6-11-7-8-13(14(4,5)15)12(9-11)10(2)3/h10-11H,6-9,15H2,1-5H3
InChIKeyOUKDGHJNTFYTGP-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.89
Rot. Bonds3

About 2-(4-ethyl-2-propan-2-ylcyclohexen-1-yl)propan-2-amine

2-(4-ethyl-2-propan-2-ylcyclohexen-1-yl)propan-2-amine (PubChem CID 162712682) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2-(4-ethyl-2-propan-2-ylcyclohexen-1-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-ethyl-2-propan-2-ylcyclohexen-1-yl)propan-2-amine
PubChem CID162712682
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2-(4-ethyl-2-propan-2-ylcyclohexen-1-yl)propan-2-amine
SMILESCCC1CCC(C(C)(C)N)=C(C(C)C)C1
InChIInChI=1S/C14H27N/c1-6-11-7-8-13(14(4,5)15)12(9-11)10(2)3/h10-11H,6-9,15H2,1-5H3
InChIKeyOUKDGHJNTFYTGP-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.89
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 2-(4-ethyl-2-propan-2-ylcyclohexen-1-yl)propan-2-amine?
The IUPAC name of 2-(4-ethyl-2-propan-2-ylcyclohexen-1-yl)propan-2-amine (CID 162712682) is 2-(4-ethyl-2-propan-2-ylcyclohexen-1-yl)propan-2-amine.
What is the SMILES notation for 2-(4-ethyl-2-propan-2-ylcyclohexen-1-yl)propan-2-amine?
The canonical SMILES for 2-(4-ethyl-2-propan-2-ylcyclohexen-1-yl)propan-2-amine is CCC1CCC(C(C)(C)N)=C(C(C)C)C1.
What is the InChIKey of 2-(4-ethyl-2-propan-2-ylcyclohexen-1-yl)propan-2-amine?
The InChIKey is OUKDGHJNTFYTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-6-11-7-8-13(14(4,5)15)12(9-11)10(2)3/h10-11H,6-9,15H2,1-5H3.
What are the key properties of 2-(4-ethyl-2-propan-2-ylcyclohexen-1-yl)propan-2-amine?
2-(4-ethyl-2-propan-2-ylcyclohexen-1-yl)propan-2-amine has a molecular weight of 209.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-propan-2-ylcyclohexen-1-yl)propan-2-amine is sourced from PubChem (CID 162712682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).