6-(3,4-dimethylcyclohexyl)oxy-N-methylhexan-2-amine

C15H31NO — CID 64744748

IUPAC6-(3,4-dimethylcyclohexyl)oxy-N-methylhexan-2-amine
SMILESCNC(C)CCCCOC1CCC(C)C(C)C1
InChIInChI=1S/C15H31NO/c1-12-8-9-15(11-13(12)2)17-10-6-5-7-14(3)16-4/h12-16H,5-11H2,1-4H3
InChIKeyBNONJDRWPJPEFH-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds7

About 6-(3,4-dimethylcyclohexyl)oxy-N-methylhexan-2-amine

6-(3,4-dimethylcyclohexyl)oxy-N-methylhexan-2-amine (PubChem CID 64744748) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 6-(3,4-dimethylcyclohexyl)oxy-N-methylhexan-2-amine.

Molecular Properties

Compound Name6-(3,4-dimethylcyclohexyl)oxy-N-methylhexan-2-amine
PubChem CID64744748
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name6-(3,4-dimethylcyclohexyl)oxy-N-methylhexan-2-amine
SMILESCNC(C)CCCCOC1CCC(C)C(C)C1
InChIInChI=1S/C15H31NO/c1-12-8-9-15(11-13(12)2)17-10-6-5-7-14(3)16-4/h12-16H,5-11H2,1-4H3
InChIKeyBNONJDRWPJPEFH-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
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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Related Compounds

5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine
CID 64738324
4-(3,4-dimethylcyclohexyl)oxybutan-2-ol
CID 64746178
4-(3,4-dimethylcyclohexyl)oxybutanenitrile
CID 64744374
6-(3,4-dimethylcyclohexyl)oxyhexanoic acid
CID 64747074
6-(2-cyclopropylethoxy)-N-methylhexan-2-amine
CID 106200767
6-(3,4-dimethylcyclohexyl)oxyhexane-1-sulfonyl chloride
CID 64738338
6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine
CID 106708691
6-methylheptoxycyclohexane
CID 66984925
(2R)-5-ethoxy-N-methylpentan-2-amine
CID 93424576
1,2-dimethyl-4-(2-methylsulfanylethoxy)cyclohexane
CID 104863820
methyl 5-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)pentanoate
CID 64746965
ethyl 4-(3,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)butanoate
CID 64745772

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylcyclohexyl)oxy-N-methylhexan-2-amine?
The IUPAC name of 6-(3,4-dimethylcyclohexyl)oxy-N-methylhexan-2-amine (CID 64744748) is 6-(3,4-dimethylcyclohexyl)oxy-N-methylhexan-2-amine.
What is the SMILES notation for 6-(3,4-dimethylcyclohexyl)oxy-N-methylhexan-2-amine?
The canonical SMILES for 6-(3,4-dimethylcyclohexyl)oxy-N-methylhexan-2-amine is CNC(C)CCCCOC1CCC(C)C(C)C1.
What is the InChIKey of 6-(3,4-dimethylcyclohexyl)oxy-N-methylhexan-2-amine?
The InChIKey is BNONJDRWPJPEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-12-8-9-15(11-13(12)2)17-10-6-5-7-14(3)16-4/h12-16H,5-11H2,1-4H3.
What are the key properties of 6-(3,4-dimethylcyclohexyl)oxy-N-methylhexan-2-amine?
6-(3,4-dimethylcyclohexyl)oxy-N-methylhexan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylcyclohexyl)oxy-N-methylhexan-2-amine is sourced from PubChem (CID 64744748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).