[1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexyl]methanol

C15H31NO — CID 62265309

IUPAC[1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexyl]methanol
SMILESCC(C)CN(CC1(CO)CCCCC1)C(C)C
InChIInChI=1S/C15H31NO/c1-13(2)10-16(14(3)4)11-15(12-17)8-6-5-7-9-15/h13-14,17H,5-12H2,1-4H3
InChIKeyBMSGIKLCOBZKSH-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.30
Rot. Bonds6

About [1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexyl]methanol

[1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 62265309) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is [1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexyl]methanol
PubChem CID62265309
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name[1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexyl]methanol
SMILESCC(C)CN(CC1(CO)CCCCC1)C(C)C
InChIInChI=1S/C15H31NO/c1-13(2)10-16(14(3)4)11-15(12-17)8-6-5-7-9-15/h13-14,17H,5-12H2,1-4H3
InChIKeyBMSGIKLCOBZKSH-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexyl]methanol (CID 62265309) is [1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexyl]methanol is CC(C)CN(CC1(CO)CCCCC1)C(C)C.
What is the InChIKey of [1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is BMSGIKLCOBZKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-13(2)10-16(14(3)4)11-15(12-17)8-6-5-7-9-15/h13-14,17H,5-12H2,1-4H3.
What are the key properties of [1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexyl]methanol?
[1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 241.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 62265309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).