2-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexan-1-amine

C17H33NO — CID 64746723

IUPAC2-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(OC2CCC(C)C(C)C2)C1
InChIInChI=1S/C17H33NO/c1-11(2)14-6-8-16(18)17(10-14)19-15-7-5-12(3)13(4)9-15/h11-17H,5-10,18H2,1-4H3
InChIKeyPYYSAFGIKLQYPW-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.98
Rot. Bonds3

About 2-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexan-1-amine

2-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexan-1-amine (PubChem CID 64746723) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexan-1-amine
PubChem CID64746723
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(OC2CCC(C)C(C)C2)C1
InChIInChI=1S/C17H33NO/c1-11(2)14-6-8-16(18)17(10-14)19-15-7-5-12(3)13(4)9-15/h11-17H,5-10,18H2,1-4H3
InChIKeyPYYSAFGIKLQYPW-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexan-1-amine (CID 64746723) is 2-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(OC2CCC(C)C(C)C2)C1.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is PYYSAFGIKLQYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-11(2)14-6-8-16(18)17(10-14)19-15-7-5-12(3)13(4)9-15/h11-17H,5-10,18H2,1-4H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexan-1-amine?
2-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64746723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).