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

C17H35NO — CID 79138435

IUPAC1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35NO/c1-6-13(7-2)15(19)17(12-18)10-8-14(9-11-17)16(3,4)5/h13-15,19H,6-12,18H2,1-5H3
InChIKeyAEMGSFQZSHSBLL-UHFFFAOYSA-N
MW269.47 g/mol
LogP3.96
Rot. Bonds5

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

1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-ethylbutan-1-ol (PubChem CID 79138435) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-ethylbutan-1-ol
PubChem CID79138435
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35NO/c1-6-13(7-2)15(19)17(12-18)10-8-14(9-11-17)16(3,4)5/h13-15,19H,6-12,18H2,1-5H3
InChIKeyAEMGSFQZSHSBLL-UHFFFAOYSA-N
XLogP3.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-ethylbutan-1-ol
CID 79137960
2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-hydroxyacetic acid
CID 79123755
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol
CID 112752648
methyl 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-hydroxyacetate
CID 79123304
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol
CID 79124774
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol
CID 104576136
[1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol
CID 104576140
[1-(aminomethyl)-4-tert-butylcyclohexyl]-(thiolan-3-yl)methanol
CID 107133817
[4-tert-butyl-1-(2-ethylbutyl)cyclohexyl]methanamine
CID 82930941
[4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol
CID 104576133
[1-(aminomethyl)-4-tert-butylcyclohexyl]-(5-chloro-1,3-thiazol-2-yl)methanol
CID 107125859
1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol
CID 130513360

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-ethylbutan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-ethylbutan-1-ol (CID 79138435) is 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-ethylbutan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-ethylbutan-1-ol is CCC(CC)C(O)C1(CN)CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-ethylbutan-1-ol?
The InChIKey is AEMGSFQZSHSBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-13(7-2)15(19)17(12-18)10-8-14(9-11-17)16(3,4)5/h13-15,19H,6-12,18H2,1-5H3.
What are the key properties of 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-ethylbutan-1-ol?
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-ethylbutan-1-ol has a molecular weight of 269.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 79138435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).