2-(propoxymethyl)-4-propylcyclohexan-1-amine

C13H27NO — CID 81013169

IUPAC2-(propoxymethyl)-4-propylcyclohexan-1-amine
SMILESCCCOCC1CC(CCC)CCC1N
InChIInChI=1S/C13H27NO/c1-3-5-11-6-7-13(14)12(9-11)10-15-8-4-2/h11-13H,3-10,14H2,1-2H3
InChIKeyVUQIIQPRTWIAHI-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.96
Rot. Bonds6

About 2-(propoxymethyl)-4-propylcyclohexan-1-amine

2-(propoxymethyl)-4-propylcyclohexan-1-amine (PubChem CID 81013169) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(propoxymethyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(propoxymethyl)-4-propylcyclohexan-1-amine
PubChem CID81013169
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(propoxymethyl)-4-propylcyclohexan-1-amine
SMILESCCCOCC1CC(CCC)CCC1N
InChIInChI=1S/C13H27NO/c1-3-5-11-6-7-13(14)12(9-11)10-15-8-4-2/h11-13H,3-10,14H2,1-2H3
InChIKeyVUQIIQPRTWIAHI-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(propoxymethyl)-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(propoxymethyl)-4-propylcyclohexan-1-amine (CID 81013169) is 2-(propoxymethyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(propoxymethyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(propoxymethyl)-4-propylcyclohexan-1-amine is CCCOCC1CC(CCC)CCC1N.
What is the InChIKey of 2-(propoxymethyl)-4-propylcyclohexan-1-amine?
The InChIKey is VUQIIQPRTWIAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-11-6-7-13(14)12(9-11)10-15-8-4-2/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 2-(propoxymethyl)-4-propylcyclohexan-1-amine?
2-(propoxymethyl)-4-propylcyclohexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propoxymethyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 81013169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).