5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol

C15H31NO — CID 113428622

IUPAC5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol
SMILESCC(O)CC(CN)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31NO/c1-11(17)9-13(10-16)12-5-7-14(8-6-12)15(2,3)4/h11-14,17H,5-10,16H2,1-4H3
InChIKeyFXJATBZHNYYLSF-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.18
Rot. Bonds4

About 5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol

5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol (PubChem CID 113428622) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol.

Molecular Properties

Compound Name5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol
PubChem CID113428622
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol
SMILESCC(O)CC(CN)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31NO/c1-11(17)9-13(10-16)12-5-7-14(8-6-12)15(2,3)4/h11-14,17H,5-10,16H2,1-4H3
InChIKeyFXJATBZHNYYLSF-UHFFFAOYSA-N
XLogP3.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

4-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]pentan-2-ol
CID 104575475
4-amino-3-(4-tert-butylcyclohexyl)butanoic acid
CID 104576095
2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
CID 65185190
1-(4-tert-butylcyclohexyl)ethanol;ethane
CID 144559902
2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
CID 113428536
tert-butylcyclopropane;1-cyclopropylethylcyclopropane
CID 157166349
[1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol
CID 104576140
[4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol
CID 104576133
[1-(4-tert-butylcyclohexyl)-3-methylbutyl]hydrazine
CID 105232627
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol
CID 104576136
1-(4-tert-butylcyclohexyl)-2,2-difluoroethanol
CID 115694405
1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine
CID 104575536

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol?
The IUPAC name of 5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol (CID 113428622) is 5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol.
What is the SMILES notation for 5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol?
The canonical SMILES for 5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol is CC(O)CC(CN)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol?
The InChIKey is FXJATBZHNYYLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-11(17)9-13(10-16)12-5-7-14(8-6-12)15(2,3)4/h11-14,17H,5-10,16H2,1-4H3.
What are the key properties of 5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol?
5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol has a molecular weight of 241.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol is sourced from PubChem (CID 113428622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).