2-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine

C11H21NO — CID 62455176

IUPAC2-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine
SMILESCC(CN)OCC1CC=CCC1C
InChIInChI=1S/C11H21NO/c1-9-5-3-4-6-11(9)8-13-10(2)7-12/h3-4,9-11H,5-8,12H2,1-2H3
InChIKeySCVSEANDZXMPRH-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.95
Rot. Bonds4

About 2-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine

2-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine (PubChem CID 62455176) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine.

Molecular Properties

Compound Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine
PubChem CID62455176
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine
SMILESCC(CN)OCC1CC=CCC1C
InChIInChI=1S/C11H21NO/c1-9-5-3-4-6-11(9)8-13-10(2)7-12/h3-4,9-11H,5-8,12H2,1-2H3
InChIKeySCVSEANDZXMPRH-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine?
The IUPAC name of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine (CID 62455176) is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine.
What is the SMILES notation for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine?
The canonical SMILES for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine is CC(CN)OCC1CC=CCC1C.
What is the InChIKey of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine?
The InChIKey is SCVSEANDZXMPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-5-3-4-6-11(9)8-13-10(2)7-12/h3-4,9-11H,5-8,12H2,1-2H3.
What are the key properties of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine?
2-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine has a molecular weight of 183.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine is sourced from PubChem (CID 62455176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).