1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine

C15H31NO — CID 116762900

IUPAC1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine
SMILESCNC(CCC(C)(C)C)C1(OC)CCCCC1
InChIInChI=1S/C15H31NO/c1-14(2,3)12-9-13(16-4)15(17-5)10-7-6-8-11-15/h13,16H,6-12H2,1-5H3
InChIKeyHJWVUFFIECUIQV-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds5

About 1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine

1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine (PubChem CID 116762900) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine
PubChem CID116762900
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine
SMILESCNC(CCC(C)(C)C)C1(OC)CCCCC1
InChIInChI=1S/C15H31NO/c1-14(2,3)12-9-13(16-4)15(17-5)10-7-6-8-11-15/h13,16H,6-12H2,1-5H3
InChIKeyHJWVUFFIECUIQV-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

((1-Methoxy-4,4-dimethylcyclohexyl)methyl)(methyl)amine
CID 130591134
5,5,5-trifluoro-1-(1-methoxycyclohexyl)-N-methylpentan-1-amine
CID 113561783
4,4,4-trifluoro-1-(1-methoxy-3-methylcyclohexyl)-N-methylbutan-1-amine
CID 113562173
1-(3,3-difluorocyclohexyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 114224874
1-(3,3-difluorocyclohexyl)-3-methoxy-N,3-dimethylpentan-2-amine
CID 114224949
4,4,4-trifluoro-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine
CID 116762911
N-ethyl-4,4,4-trifluoro-1-(1-methoxycyclohexyl)butan-1-amine
CID 116763175
N-ethyl-5,5,5-trifluoro-1-(1-methoxycyclohexyl)pentan-1-amine
CID 116763201
4,4,4-trifluoro-1-(1-methoxycyclohexyl)-N-propylbutan-1-amine
CID 116763383
5,5,5-trifluoro-1-(1-methoxycyclohexyl)-N-propylpentan-1-amine
CID 116763405
1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 116763885
5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)-N-methylpentan-1-amine
CID 116767841

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine?
The IUPAC name of 1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine (CID 116762900) is 1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine?
The canonical SMILES for 1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine is CNC(CCC(C)(C)C)C1(OC)CCCCC1.
What is the InChIKey of 1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine?
The InChIKey is HJWVUFFIECUIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-14(2,3)12-9-13(16-4)15(17-5)10-7-6-8-11-15/h13,16H,6-12H2,1-5H3.
What are the key properties of 1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine?
1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 116762900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).