N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine

C14H27NO — CID 70432496

IUPACN-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine
SMILESCCCCN(C)C1CCCCC1=CCOC
InChIInChI=1S/C14H27NO/c1-4-5-11-15(2)14-9-7-6-8-13(14)10-12-16-3/h10,14H,4-9,11-12H2,1-3H3
InChIKeyQJRPEKZLPWHWKR-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.23
Rot. Bonds6

About N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine

N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine (PubChem CID 70432496) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine
PubChem CID70432496
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine
SMILESCCCCN(C)C1CCCCC1=CCOC
InChIInChI=1S/C14H27NO/c1-4-5-11-15(2)14-9-7-6-8-13(14)10-12-16-3/h10,14H,4-9,11-12H2,1-3H3
InChIKeyQJRPEKZLPWHWKR-UHFFFAOYSA-N
XLogP3.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
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 N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine?
The IUPAC name of N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine (CID 70432496) is N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine.
What is the SMILES notation for N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine?
The canonical SMILES for N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine is CCCCN(C)C1CCCCC1=CCOC.
What is the InChIKey of N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine?
The InChIKey is QJRPEKZLPWHWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-5-11-15(2)14-9-7-6-8-13(14)10-12-16-3/h10,14H,4-9,11-12H2,1-3H3.
What are the key properties of N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine?
N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 70432496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).