3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine

C17H35NO — CID 63492137

IUPAC3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
SMILESCC1CC(OC(CNC(C)C)C(C)C)CC(C)(C)C1
InChIInChI=1S/C17H35NO/c1-12(2)16(11-18-13(3)4)19-15-8-14(5)9-17(6,7)10-15/h12-16,18H,8-11H2,1-7H3
InChIKeyCPVFJKURZPXHIZ-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.24
Rot. Bonds6

About 3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine

3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine (PubChem CID 63492137) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
PubChem CID63492137
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
SMILESCC1CC(OC(CNC(C)C)C(C)C)CC(C)(C)C1
InChIInChI=1S/C17H35NO/c1-12(2)16(11-18-13(3)4)19-15-8-14(5)9-17(6,7)10-15/h12-16,18H,8-11H2,1-7H3
InChIKeyCPVFJKURZPXHIZ-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

N-ethyl-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 62456955
N-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine
CID 63492299
3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 62457350
2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 62442191
3-amino-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-ol
CID 64899608
3-(3-bromo-1,4-dichlorobutan-2-yl)oxy-1,1,5-trimethylcyclohexane
CID 114773351
4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine
CID 64708543
N-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine
CID 83044629
N-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine
CID 83044983
2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine
CID 62455277
N-tert-butyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
CID 103074527
3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
CID 103227873

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine?
The IUPAC name of 3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine (CID 63492137) is 3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine.
What is the SMILES notation for 3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine?
The canonical SMILES for 3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine is CC1CC(OC(CNC(C)C)C(C)C)CC(C)(C)C1.
What is the InChIKey of 3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine?
The InChIKey is CPVFJKURZPXHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-12(2)16(11-18-13(3)4)19-15-8-14(5)9-17(6,7)10-15/h12-16,18H,8-11H2,1-7H3.
What are the key properties of 3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine?
3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine is sourced from PubChem (CID 63492137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).