1-(1-amino-2-methylbutan-2-yl)-3-ethylcyclohexan-1-ol

C13H27NO — CID 79126059

IUPAC1-(1-amino-2-methylbutan-2-yl)-3-ethylcyclohexan-1-ol
SMILESCCC1CCCC(O)(C(C)(CC)CN)C1
InChIInChI=1S/C13H27NO/c1-4-11-7-6-8-13(15,9-11)12(3,5-2)10-14/h11,15H,4-10,14H2,1-3H3
InChIKeyOLQATOLYZQVNJC-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.69
Rot. Bonds4

About 1-(1-amino-2-methylbutan-2-yl)-3-ethylcyclohexan-1-ol

1-(1-amino-2-methylbutan-2-yl)-3-ethylcyclohexan-1-ol (PubChem CID 79126059) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(1-amino-2-methylbutan-2-yl)-3-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-amino-2-methylbutan-2-yl)-3-ethylcyclohexan-1-ol
PubChem CID79126059
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(1-amino-2-methylbutan-2-yl)-3-ethylcyclohexan-1-ol
SMILESCCC1CCCC(O)(C(C)(CC)CN)C1
InChIInChI=1S/C13H27NO/c1-4-11-7-6-8-13(15,9-11)12(3,5-2)10-14/h11,15H,4-10,14H2,1-3H3
InChIKeyOLQATOLYZQVNJC-UHFFFAOYSA-N
XLogP2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 103983083
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CID 79123415
3-(1-amino-2-methylbutan-2-yl)piperidin-3-ol
CID 79135768
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol
CID 79124179
1-(1-amino-2-methylpropan-2-yl)-4-ethylcyclohexan-1-ol
CID 79126755
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol
CID 79128708
2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol
CID 79126503
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol
CID 79139004
[(1R,3R)-3-ethyl-1-methylcyclohexyl]methanamine
CID 124509465
1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol
CID 79127098
1-(cyclopentylmethyl)-3-ethylcyclohexan-1-ol
CID 65149112
6-(1-amino-2-methylbutan-2-yl)-1,4-dioxepan-6-ol
CID 126981827

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylbutan-2-yl)-3-ethylcyclohexan-1-ol?
The IUPAC name of 1-(1-amino-2-methylbutan-2-yl)-3-ethylcyclohexan-1-ol (CID 79126059) is 1-(1-amino-2-methylbutan-2-yl)-3-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-(1-amino-2-methylbutan-2-yl)-3-ethylcyclohexan-1-ol?
The canonical SMILES for 1-(1-amino-2-methylbutan-2-yl)-3-ethylcyclohexan-1-ol is CCC1CCCC(O)(C(C)(CC)CN)C1.
What is the InChIKey of 1-(1-amino-2-methylbutan-2-yl)-3-ethylcyclohexan-1-ol?
The InChIKey is OLQATOLYZQVNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-11-7-6-8-13(15,9-11)12(3,5-2)10-14/h11,15H,4-10,14H2,1-3H3.
What are the key properties of 1-(1-amino-2-methylbutan-2-yl)-3-ethylcyclohexan-1-ol?
1-(1-amino-2-methylbutan-2-yl)-3-ethylcyclohexan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylbutan-2-yl)-3-ethylcyclohexan-1-ol is sourced from PubChem (CID 79126059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).