2-(3,5-dimethylcyclohexyl)oxy-N-methylcyclohexan-1-amine

C15H29NO — CID 64728780

IUPAC2-(3,5-dimethylcyclohexyl)oxy-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1OC1CC(C)CC(C)C1
InChIInChI=1S/C15H29NO/c1-11-8-12(2)10-13(9-11)17-15-7-5-4-6-14(15)16-3/h11-16H,4-10H2,1-3H3
InChIKeyXQNTXCPKGUTNMW-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds3

About 2-(3,5-dimethylcyclohexyl)oxy-N-methylcyclohexan-1-amine

2-(3,5-dimethylcyclohexyl)oxy-N-methylcyclohexan-1-amine (PubChem CID 64728780) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)oxy-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)oxy-N-methylcyclohexan-1-amine
PubChem CID64728780
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-(3,5-dimethylcyclohexyl)oxy-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1OC1CC(C)CC(C)C1
InChIInChI=1S/C15H29NO/c1-11-8-12(2)10-13(9-11)17-15-7-5-4-6-14(15)16-3/h11-16H,4-10H2,1-3H3
InChIKeyXQNTXCPKGUTNMW-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)oxy-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)oxy-N-methylcyclohexan-1-amine (CID 64728780) is 2-(3,5-dimethylcyclohexyl)oxy-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)oxy-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)oxy-N-methylcyclohexan-1-amine is CNC1CCCCC1OC1CC(C)CC(C)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)oxy-N-methylcyclohexan-1-amine?
The InChIKey is XQNTXCPKGUTNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11-8-12(2)10-13(9-11)17-15-7-5-4-6-14(15)16-3/h11-16H,4-10H2,1-3H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)oxy-N-methylcyclohexan-1-amine?
2-(3,5-dimethylcyclohexyl)oxy-N-methylcyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)oxy-N-methylcyclohexan-1-amine is sourced from PubChem (CID 64728780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).