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

C14H29NO — CID 62457350

IUPAC3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
SMILESCC1CC(OC(CN)C(C)C)CC(C)(C)C1
InChIInChI=1S/C14H29NO/c1-10(2)13(9-15)16-12-6-11(3)7-14(4,5)8-12/h10-13H,6-9,15H2,1-5H3
InChIKeyGLHTUWHVTCMETK-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.20
Rot. Bonds4

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

3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine (PubChem CID 62457350) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
PubChem CID62457350
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
SMILESCC1CC(OC(CN)C(C)C)CC(C)(C)C1
InChIInChI=1S/C14H29NO/c1-10(2)13(9-15)16-12-6-11(3)7-14(4,5)8-12/h10-13H,6-9,15H2,1-5H3
InChIKeyGLHTUWHVTCMETK-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 63492137
N-ethyl-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 62456955
3-amino-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-ol
CID 64899608
N-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine
CID 63492299
3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
CID 103227873
4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine
CID 64708543
3-(3-bromo-1,4-dichlorobutan-2-yl)oxy-1,1,5-trimethylcyclohexane
CID 114773351
1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
CID 2770887
2-thiophen-2-yl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
CID 55020997
[(1S,5S)-3,3,5-trimethylcyclohexyl] (2S)-2-hydroxypropanoate
CID 76962172
(3,3,5-trimethylcyclohexyl) 2-(aminomethyl)-4,4-dimethylpentanoate
CID 107475315
2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropanethioamide
CID 43368861

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine?
The IUPAC name of 3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine (CID 62457350) is 3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine.
What is the SMILES notation for 3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine?
The canonical SMILES for 3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine is CC1CC(OC(CN)C(C)C)CC(C)(C)C1.
What is the InChIKey of 3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine?
The InChIKey is GLHTUWHVTCMETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-10(2)13(9-15)16-12-6-11(3)7-14(4,5)8-12/h10-13H,6-9,15H2,1-5H3.
What are the key properties of 3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine?
3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine is sourced from PubChem (CID 62457350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).