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

C16H33NO — CID 65185190

IUPAC2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
SMILESCC(C)C(CN)C(O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-11(2)14(10-17)15(18)12-6-8-13(9-7-12)16(3,4)5/h11-15,18H,6-10,17H2,1-5H3
InChIKeyPSILVEQGQCYQFH-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.43
Rot. Bonds4

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

2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol (PubChem CID 65185190) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
PubChem CID65185190
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
SMILESCC(C)C(CN)C(O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-11(2)14(10-17)15(18)12-6-8-13(9-7-12)16(3,4)5/h11-15,18H,6-10,17H2,1-5H3
InChIKeyPSILVEQGQCYQFH-UHFFFAOYSA-N
XLogP3.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol
CID 107443281
2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
CID 113428536
5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol
CID 113428622
1-(4-tert-butylcyclohexyl)-2,2-difluoroethanol
CID 115694405
1-(4-tert-butylcyclohexyl)ethanol;ethane
CID 144559902
4-amino-3-(4-tert-butylcyclohexyl)butanoic acid
CID 104576095
4-[[2-amino-1-(4-tert-butylcyclohexyl)ethyl]amino]pentan-2-ol
CID 104575475
1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine
CID 104575536
tert-butylcyclopropane;1-cyclopropylethylcyclopropane
CID 157166349
[1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol
CID 104576140
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol
CID 104576136
3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol
CID 104575909

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol (CID 65185190) is 2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol is CC(C)C(CN)C(O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol?
The InChIKey is PSILVEQGQCYQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-11(2)14(10-17)15(18)12-6-8-13(9-7-12)16(3,4)5/h11-15,18H,6-10,17H2,1-5H3.
What are the key properties of 2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol?
2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol has a molecular weight of 255.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol is sourced from PubChem (CID 65185190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).