N-butyl-4-methoxy-N-methylcyclohexan-1-amine

C12H25NO — CID 89265037

IUPACN-butyl-4-methoxy-N-methylcyclohexan-1-amine
SMILESCCCCN(C)C1CCC(OC)CC1
InChIInChI=1S/C12H25NO/c1-4-5-10-13(2)11-6-8-12(14-3)9-7-11/h11-12H,4-10H2,1-3H3
InChIKeyAUBQGYVGUHXHEW-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.68
Rot. Bonds5

About N-butyl-4-methoxy-N-methylcyclohexan-1-amine

N-butyl-4-methoxy-N-methylcyclohexan-1-amine (PubChem CID 89265037) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-butyl-4-methoxy-N-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-butyl-4-methoxy-N-methylcyclohexan-1-amine
PubChem CID89265037
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-butyl-4-methoxy-N-methylcyclohexan-1-amine
SMILESCCCCN(C)C1CCC(OC)CC1
InChIInChI=1S/C12H25NO/c1-4-5-10-13(2)11-6-8-12(14-3)9-7-11/h11-12H,4-10H2,1-3H3
InChIKeyAUBQGYVGUHXHEW-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methoxy-N-methylcyclohexan-1-amine?
The IUPAC name of N-butyl-4-methoxy-N-methylcyclohexan-1-amine (CID 89265037) is N-butyl-4-methoxy-N-methylcyclohexan-1-amine.
What is the SMILES notation for N-butyl-4-methoxy-N-methylcyclohexan-1-amine?
The canonical SMILES for N-butyl-4-methoxy-N-methylcyclohexan-1-amine is CCCCN(C)C1CCC(OC)CC1.
What is the InChIKey of N-butyl-4-methoxy-N-methylcyclohexan-1-amine?
The InChIKey is AUBQGYVGUHXHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-5-10-13(2)11-6-8-12(14-3)9-7-11/h11-12H,4-10H2,1-3H3.
What are the key properties of N-butyl-4-methoxy-N-methylcyclohexan-1-amine?
N-butyl-4-methoxy-N-methylcyclohexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methoxy-N-methylcyclohexan-1-amine is sourced from PubChem (CID 89265037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).