5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine

C17H35NO — CID 64738324

IUPAC5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCCCOC1CCC(C)C(C)C1
InChIInChI=1S/C17H35NO/c1-14(2)13-18-10-6-5-7-11-19-17-9-8-15(3)16(4)12-17/h14-18H,5-13H2,1-4H3
InChIKeyRWJUTUXSGSRPFL-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.24
Rot. Bonds9

About 5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine

5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine (PubChem CID 64738324) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine
PubChem CID64738324
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCCCOC1CCC(C)C(C)C1
InChIInChI=1S/C17H35NO/c1-14(2)13-18-10-6-5-7-11-19-17-9-8-15(3)16(4)12-17/h14-18H,5-13H2,1-4H3
InChIKeyRWJUTUXSGSRPFL-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.24
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

4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
CID 62455906
4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
CID 64729623
5-cyclohexyloxy-N-(2-methylpropyl)pentan-1-amine
CID 62443659
6-(3,4-dimethylcyclohexyl)oxy-N-methylhexan-2-amine
CID 64744748
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
4-(3,4-dimethylcyclohexyl)oxybutanenitrile
CID 64744374
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]propan-1-amine
CID 62442619
6-(cyclopentylmethoxy)-N-(2-methylpropyl)hexan-1-amine
CID 66321215
4-hexoxy-N-(2-methylpropyl)butan-1-amine
CID 62455139
6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine
CID 106708691
2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine
CID 62455277

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine (CID 64738324) is 5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine is CC(C)CNCCCCCOC1CCC(C)C(C)C1.
What is the InChIKey of 5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is RWJUTUXSGSRPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-14(2)13-18-10-6-5-7-11-19-17-9-8-15(3)16(4)12-17/h14-18H,5-13H2,1-4H3.
What are the key properties of 5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine?
5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 64738324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).