1-(1-amino-2-methylpropan-2-yl)-4-ethylcyclohexan-1-ol

C12H25NO — CID 79126755

IUPAC1-(1-amino-2-methylpropan-2-yl)-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(C(C)(C)CN)CC1
InChIInChI=1S/C12H25NO/c1-4-10-5-7-12(14,8-6-10)11(2,3)9-13/h10,14H,4-9,13H2,1-3H3
InChIKeyQMHJQNICFHQWKQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.30
Rot. Bonds3

About 1-(1-amino-2-methylpropan-2-yl)-4-ethylcyclohexan-1-ol

1-(1-amino-2-methylpropan-2-yl)-4-ethylcyclohexan-1-ol (PubChem CID 79126755) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(1-amino-2-methylpropan-2-yl)-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-amino-2-methylpropan-2-yl)-4-ethylcyclohexan-1-ol
PubChem CID79126755
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(1-amino-2-methylpropan-2-yl)-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(C(C)(C)CN)CC1
InChIInChI=1S/C12H25NO/c1-4-10-5-7-12(14,8-6-10)11(2,3)9-13/h10,14H,4-9,13H2,1-3H3
InChIKeyQMHJQNICFHQWKQ-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-amino-2-methylpropan-2-yl)piperidin-4-ol
CID 79136037
1-(1-amino-2-methylpropan-2-yl)-3-methylcyclopentan-1-ol
CID 79125565
2-(4-ethyl-1-hydroxycyclohexyl)-2-methylbutanenitrile
CID 79129996
1-(1-amino-2-methylbutan-2-yl)-3-ethylcyclohexan-1-ol
CID 79126059
1-(aminomethyl)-4-ethylcyclohexan-1-amine
CID 43519516
1-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexan-1-ol
CID 139648654
2-(4-ethylpiperidin-1-yl)-2-methylpropan-1-amine
CID 61420944
1-[1-(aminomethyl)-4-ethylcyclohexyl]-2,2-dimethylcyclohexan-1-ol
CID 79852793
ethanamine;ethylcyclopropane
CID 70018487
(1-amino-4-ethylcyclohexyl)methanol
CID 61055822
2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol
CID 79135119
[1-(aminomethyl)-4-ethylcyclohexyl] acetate
CID 151244439

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-4-ethylcyclohexan-1-ol (CID 79126755) is 1-(1-amino-2-methylpropan-2-yl)-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-(1-amino-2-methylpropan-2-yl)-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-(1-amino-2-methylpropan-2-yl)-4-ethylcyclohexan-1-ol is CCC1CCC(O)(C(C)(C)CN)CC1.
What is the InChIKey of 1-(1-amino-2-methylpropan-2-yl)-4-ethylcyclohexan-1-ol?
The InChIKey is QMHJQNICFHQWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-10-5-7-12(14,8-6-10)11(2,3)9-13/h10,14H,4-9,13H2,1-3H3.
What are the key properties of 1-(1-amino-2-methylpropan-2-yl)-4-ethylcyclohexan-1-ol?
1-(1-amino-2-methylpropan-2-yl)-4-ethylcyclohexan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylpropan-2-yl)-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 79126755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).