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

C16H33NO — CID 79128025

IUPAC2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-12(2)15(6,18)16(11-17)9-7-13(8-10-16)14(3,4)5/h12-13,18H,7-11,17H2,1-6H3
InChIKeyKNQIJWGIKKSYLD-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.57
Rot. Bonds3

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

2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-methylbutan-2-ol (PubChem CID 79128025) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-methylbutan-2-ol
PubChem CID79128025
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-12(2)15(6,18)16(11-17)9-7-13(8-10-16)14(3,4)5/h12-13,18H,7-11,17H2,1-6H3
InChIKeyKNQIJWGIKKSYLD-UHFFFAOYSA-N
XLogP3.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)-3-methylcyclopentyl]-3-methylbutan-2-ol
CID 79127868
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol
CID 79127155
2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol
CID 79126503
2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol
CID 79135119
[4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine
CID 63522154
2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-hydroxyacetic acid
CID 79123755
1-(1-aminoethyl)-4-tert-butylcyclohexan-1-ol
CID 15638554
2-[1-(aminomethyl)-4-methylcyclohexyl]butan-2-ol
CID 79126658
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol
CID 112752648
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-ethylbutan-1-ol
CID 79138435
[4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine
CID 82930941
[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine
CID 55192678

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-methylbutan-2-ol?
The IUPAC name of 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-methylbutan-2-ol (CID 79128025) is 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-methylbutan-2-ol.
What is the SMILES notation for 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-methylbutan-2-ol?
The canonical SMILES for 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-methylbutan-2-ol is CC(C)C(C)(O)C1(CN)CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-methylbutan-2-ol?
The InChIKey is KNQIJWGIKKSYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-12(2)15(6,18)16(11-17)9-7-13(8-10-16)14(3,4)5/h12-13,18H,7-11,17H2,1-6H3.
What are the key properties of 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-methylbutan-2-ol?
2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-methylbutan-2-ol has a molecular weight of 255.45 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-methylbutan-2-ol is sourced from PubChem (CID 79128025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).