4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine

C15H31NO — CID 62455906

IUPAC4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCOC1CCCC(C)C1
InChIInChI=1S/C15H31NO/c1-13(2)12-16-9-4-5-10-17-15-8-6-7-14(3)11-15/h13-16H,4-12H2,1-3H3
InChIKeyMLERLXGIAFOJES-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds8

About 4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine

4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine (PubChem CID 62455906) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
PubChem CID62455906
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCOC1CCCC(C)C1
InChIInChI=1S/C15H31NO/c1-13(2)12-16-9-4-5-10-17-15-8-6-7-14(3)11-15/h13-16H,4-12H2,1-3H3
InChIKeyMLERLXGIAFOJES-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
CID 64729623
5-cyclohexyloxy-N-(2-methylpropyl)pentan-1-amine
CID 62443659
N-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine
CID 62597111
5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine
CID 64738324
1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60970955
6-(cyclopentylmethoxy)-N-(2-methylpropyl)hexan-1-amine
CID 66321215
2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine
CID 62455277
N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine
CID 62429150
1-(2-cyclopentyloxyethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63828739
1-(3-methylcyclohexyl)oxy-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760159
N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine
CID 114783095
1-(3-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045638

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine (CID 62455906) is 4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCCCOC1CCCC(C)C1.
What is the InChIKey of 4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine?
The InChIKey is MLERLXGIAFOJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-13(2)12-16-9-4-5-10-17-15-8-6-7-14(3)11-15/h13-16H,4-12H2,1-3H3.
What are the key properties of 4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine?
4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62455906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).