4-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-ol

C14H29NO — CID 63966531

IUPAC4-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC(C)(C)N(C)CC1CC(C)CCC1O
InChIInChI=1S/C14H29NO/c1-6-14(3,4)15(5)10-12-9-11(2)7-8-13(12)16/h11-13,16H,6-10H2,1-5H3
InChIKeyQTJIVTPTPSTABK-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.90
Rot. Bonds4

About 4-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-ol

4-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 63966531) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID63966531
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC(C)(C)N(C)CC1CC(C)CCC1O
InChIInChI=1S/C14H29NO/c1-6-14(3,4)15(5)10-12-9-11(2)7-8-13(12)16/h11-13,16H,6-10H2,1-5H3
InChIKeyQTJIVTPTPSTABK-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-ol (CID 63966531) is 4-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-ol is CCC(C)(C)N(C)CC1CC(C)CCC1O.
What is the InChIKey of 4-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is QTJIVTPTPSTABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-14(3,4)15(5)10-12-9-11(2)7-8-13(12)16/h11-13,16H,6-10H2,1-5H3.
What are the key properties of 4-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-ol?
4-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 63966531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).