2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-3-methylbutan-1-amine

C15H31NO — CID 64738125

IUPAC2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(OC1CCC(C)C(C)C1)C(C)C
InChIInChI=1S/C15H31NO/c1-6-16-10-15(11(2)3)17-14-8-7-12(4)13(5)9-14/h11-16H,6-10H2,1-5H3
InChIKeyPKHPQHZOBCRSJF-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.46
Rot. Bonds6

About 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-3-methylbutan-1-amine

2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-3-methylbutan-1-amine (PubChem CID 64738125) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-3-methylbutan-1-amine
PubChem CID64738125
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(OC1CCC(C)C(C)C1)C(C)C
InChIInChI=1S/C15H31NO/c1-6-16-10-15(11(2)3)17-14-8-7-12(4)13(5)9-14/h11-16H,6-10H2,1-5H3
InChIKeyPKHPQHZOBCRSJF-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 62456955
2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine
CID 64744560
N-[2-(3,4-dimethylcyclohexyl)oxypropyl]butan-2-amine
CID 64738940
3-amino-2-(3,4-dimethylcyclohexyl)oxybutan-1-ol
CID 64898525
N-ethyl-2-(4-methylcyclohexyl)oxypropan-1-amine
CID 62444134
2-cyclobutyloxy-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62442194
2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2-methylbutan-1-amine
CID 64740123
2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 62442191
5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine
CID 64738324
N-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine
CID 63492299
2-(3,4-dimethylcyclohexyl)oxybutanehydrazide
CID 64739542
N-ethyl-3-methyl-2-(oxolan-3-ylmethoxy)butan-1-amine
CID 62485416

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-3-methylbutan-1-amine (CID 64738125) is 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-3-methylbutan-1-amine is CCNCC(OC1CCC(C)C(C)C1)C(C)C.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-3-methylbutan-1-amine?
The InChIKey is PKHPQHZOBCRSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-16-10-15(11(2)3)17-14-8-7-12(4)13(5)9-14/h11-16H,6-10H2,1-5H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-3-methylbutan-1-amine?
2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-3-methylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.46, 6 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-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 64738125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).