2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol

C15H31NO — CID 113428536

IUPAC2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
SMILESCC(C)C(N)C(O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31NO/c1-10(2)13(16)14(17)11-6-8-12(9-7-11)15(3,4)5/h10-14,17H,6-9,16H2,1-5H3
InChIKeyWXYXCKDXAXUZHZ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.18
Rot. Bonds3

About 2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol

2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol (PubChem CID 113428536) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
PubChem CID113428536
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
SMILESCC(C)C(N)C(O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31NO/c1-10(2)13(16)14(17)11-6-8-12(9-7-11)15(3,4)5/h10-14,17H,6-9,16H2,1-5H3
InChIKeyWXYXCKDXAXUZHZ-UHFFFAOYSA-N
XLogP3.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
CID 65185190
1-(4-tert-butylcyclohexyl)ethanol;ethane
CID 144559902
2-amino-1-cycloheptyl-3-methylbutan-1-ol
CID 115347541
1-(4-tert-butylcyclohexyl)-2,2-difluoroethanol
CID 115694405
1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine
CID 104575536
tert-butylcyclopropane;1-cyclopropylethylcyclopropane
CID 157166349
5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol
CID 113428622
3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol
CID 104575909
1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane
CID 57084421
2-(4-tert-butylcyclohexyl)-2-hydroxyacetonitrile
CID 104575709
(3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid
CID 104941123
1-(4-tert-butylcyclohexyl)-2-pyridin-4-ylpropan-1-ol
CID 66460889

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol?
The IUPAC name of 2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol (CID 113428536) is 2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol is CC(C)C(N)C(O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol?
The InChIKey is WXYXCKDXAXUZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-10(2)13(16)14(17)11-6-8-12(9-7-11)15(3,4)5/h10-14,17H,6-9,16H2,1-5H3.
What are the key properties of 2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol?
2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol is sourced from PubChem (CID 113428536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).