N-ethyl-2-(6-ethyl-5-methylcyclohexen-1-yl)propan-2-amine

C14H27N — CID 123251607

IUPACN-ethyl-2-(6-ethyl-5-methylcyclohexen-1-yl)propan-2-amine
SMILESCCNC(C)(C)C1=CCCC(C)C1CC
InChIInChI=1S/C14H27N/c1-6-12-11(3)9-8-10-13(12)14(4,5)15-7-2/h10-12,15H,6-9H2,1-5H3
InChIKeyKRSVPUUHUVRBLE-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.76
Rot. Bonds4

About N-ethyl-2-(6-ethyl-5-methylcyclohexen-1-yl)propan-2-amine

N-ethyl-2-(6-ethyl-5-methylcyclohexen-1-yl)propan-2-amine (PubChem CID 123251607) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-ethyl-2-(6-ethyl-5-methylcyclohexen-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-(6-ethyl-5-methylcyclohexen-1-yl)propan-2-amine
PubChem CID123251607
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-ethyl-2-(6-ethyl-5-methylcyclohexen-1-yl)propan-2-amine
SMILESCCNC(C)(C)C1=CCCC(C)C1CC
InChIInChI=1S/C14H27N/c1-6-12-11(3)9-8-10-13(12)14(4,5)15-7-2/h10-12,15H,6-9H2,1-5H3
InChIKeyKRSVPUUHUVRBLE-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(6-ethyl-5-methylcyclohexen-1-yl)propan-2-amine?
The IUPAC name of N-ethyl-2-(6-ethyl-5-methylcyclohexen-1-yl)propan-2-amine (CID 123251607) is N-ethyl-2-(6-ethyl-5-methylcyclohexen-1-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-2-(6-ethyl-5-methylcyclohexen-1-yl)propan-2-amine?
The canonical SMILES for N-ethyl-2-(6-ethyl-5-methylcyclohexen-1-yl)propan-2-amine is CCNC(C)(C)C1=CCCC(C)C1CC.
What is the InChIKey of N-ethyl-2-(6-ethyl-5-methylcyclohexen-1-yl)propan-2-amine?
The InChIKey is KRSVPUUHUVRBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-6-12-11(3)9-8-10-13(12)14(4,5)15-7-2/h10-12,15H,6-9H2,1-5H3.
What are the key properties of N-ethyl-2-(6-ethyl-5-methylcyclohexen-1-yl)propan-2-amine?
N-ethyl-2-(6-ethyl-5-methylcyclohexen-1-yl)propan-2-amine has a molecular weight of 209.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(6-ethyl-5-methylcyclohexen-1-yl)propan-2-amine is sourced from PubChem (CID 123251607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).