4-tert-butyl-2-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol

C18H35NO — CID 63487546

IUPAC4-tert-butyl-2-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)CN(CC1CC(C(C)(C)C)CCC1O)C1CC1
InChIInChI=1S/C18H35NO/c1-13(2)11-19(16-7-8-16)12-14-10-15(18(3,4)5)6-9-17(14)20/h13-17,20H,6-12H2,1-5H3
InChIKeyAKBRQZUXTQCKGI-UHFFFAOYSA-N
MW281.48 g/mol
LogP3.93
Rot. Bonds5

About 4-tert-butyl-2-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol

4-tert-butyl-2-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol (PubChem CID 63487546) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 4-tert-butyl-2-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol
PubChem CID63487546
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name4-tert-butyl-2-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)CN(CC1CC(C(C)(C)C)CCC1O)C1CC1
InChIInChI=1S/C18H35NO/c1-13(2)11-19(16-7-8-16)12-14-10-15(18(3,4)5)6-9-17(14)20/h13-17,20H,6-12H2,1-5H3
InChIKeyAKBRQZUXTQCKGI-UHFFFAOYSA-N
XLogP3.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-ol
CID 62610075
4-tert-butyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-ol
CID 62610112
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol
CID 62610969
cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
CID 59686945
4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol
CID 82930226
2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid
CID 65094431
4-tert-butyl-2-N-cyclopropyl-2-N-(2-methylpropyl)cyclohexane-1,2-diamine
CID 55002114
2-[(2-amino-5-tert-butylcyclohexyl)methyl-cyclobutylamino]ethanol
CID 102870921
2-but-2-enyl-4-tert-butylcyclohexan-1-ol
CID 76919133
4-tert-butyl-N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 63493941
4-tert-butyl-2-heptylcyclohexan-1-ol
CID 63462001
2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 62610271

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol (CID 63487546) is 4-tert-butyl-2-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol is CC(C)CN(CC1CC(C(C)(C)C)CCC1O)C1CC1.
What is the InChIKey of 4-tert-butyl-2-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is AKBRQZUXTQCKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-13(2)11-19(16-7-8-16)12-14-10-15(18(3,4)5)6-9-17(14)20/h13-17,20H,6-12H2,1-5H3.
What are the key properties of 4-tert-butyl-2-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol?
4-tert-butyl-2-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 281.48 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 63487546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).