2-cyclohexyl-N-ethylethanamine

C10H21N — CID 3028085

IUPAC2-cyclohexyl-N-ethylethanamine
SMILESCCNCCC1CCCCC1
InChIInChI=1S/C10H21N/c1-2-11-9-8-10-6-4-3-5-7-10/h10-11H,2-9H2,1H3
InChIKeyOXACWPMMUNQCSB-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.57
Rot. Bonds4

About 2-cyclohexyl-N-ethylethanamine

2-cyclohexyl-N-ethylethanamine (PubChem CID 3028085) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2-cyclohexyl-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-ethylethanamine
PubChem CID3028085
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2-cyclohexyl-N-ethylethanamine
SMILESCCNCCC1CCCCC1
InChIInChI=1S/C10H21N/c1-2-11-9-8-10-6-4-3-5-7-10/h10-11H,2-9H2,1H3
InChIKeyOXACWPMMUNQCSB-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-ethylethanamine?
The IUPAC name of 2-cyclohexyl-N-ethylethanamine (CID 3028085) is 2-cyclohexyl-N-ethylethanamine.
What is the SMILES notation for 2-cyclohexyl-N-ethylethanamine?
The canonical SMILES for 2-cyclohexyl-N-ethylethanamine is CCNCCC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-ethylethanamine?
The InChIKey is OXACWPMMUNQCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-2-11-9-8-10-6-4-3-5-7-10/h10-11H,2-9H2,1H3.
What are the key properties of 2-cyclohexyl-N-ethylethanamine?
2-cyclohexyl-N-ethylethanamine has a molecular weight of 155.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-ethylethanamine is sourced from PubChem (CID 3028085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).