1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol

C16H34N2O — CID 62608989

IUPAC1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol
SMILESCNC1CCC(C(C)(C)C)CC1CN(C)CC(C)O
InChIInChI=1S/C16H34N2O/c1-12(19)10-18(6)11-13-9-14(16(2,3)4)7-8-15(13)17-5/h12-15,17,19H,7-11H2,1-6H3
InChIKeyBMLHNXZNTYTDCH-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.35
Rot. Bonds5

About 1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol

1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol (PubChem CID 62608989) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol
PubChem CID62608989
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol
SMILESCNC1CCC(C(C)(C)C)CC1CN(C)CC(C)O
InChIInChI=1S/C16H34N2O/c1-12(19)10-18(6)11-13-9-14(16(2,3)4)7-8-15(13)17-5/h12-15,17,19H,7-11H2,1-6H3
InChIKeyBMLHNXZNTYTDCH-UHFFFAOYSA-N
XLogP2.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
CID 63494004
4-tert-butyl-N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 63493941
4-tert-butyl-N-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-amine
CID 112664680
1-[methyl-[[4-(methylamino)oxan-3-yl]methyl]amino]propan-2-ol
CID 103059860
2-[[butan-2-yl(ethyl)amino]methyl]-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63483811
4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 63483791
4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 63401489
N-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl]-N-methylaniline
CID 63482857
4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol
CID 62610112
2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63401093
4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine
CID 63401228
4-ethyl-N-methyl-2-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 62615381

Frequently Asked Questions

What is the IUPAC name of 1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol (CID 62608989) is 1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol is CNC1CCC(C(C)(C)C)CC1CN(C)CC(C)O.
What is the InChIKey of 1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol?
The InChIKey is BMLHNXZNTYTDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-12(19)10-18(6)11-13-9-14(16(2,3)4)7-8-15(13)17-5/h12-15,17,19H,7-11H2,1-6H3.
What are the key properties of 1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol?
1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol has a molecular weight of 270.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol is sourced from PubChem (CID 62608989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).