3-amino-1-(2-ethylhexyl)cyclobutan-1-ol

C12H25NO — CID 80561259

IUPAC3-amino-1-(2-ethylhexyl)cyclobutan-1-ol
SMILESCCCCC(CC)CC1(O)CC(N)C1
InChIInChI=1S/C12H25NO/c1-3-5-6-10(4-2)7-12(14)8-11(13)9-12/h10-11,14H,3-9,13H2,1-2H3
InChIKeyJGCJOCPNJAAXGD-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.45
Rot. Bonds6

About 3-amino-1-(2-ethylhexyl)cyclobutan-1-ol

3-amino-1-(2-ethylhexyl)cyclobutan-1-ol (PubChem CID 80561259) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-amino-1-(2-ethylhexyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-ethylhexyl)cyclobutan-1-ol
PubChem CID80561259
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-amino-1-(2-ethylhexyl)cyclobutan-1-ol
SMILESCCCCC(CC)CC1(O)CC(N)C1
InChIInChI=1S/C12H25NO/c1-3-5-6-10(4-2)7-12(14)8-11(13)9-12/h10-11,14H,3-9,13H2,1-2H3
InChIKeyJGCJOCPNJAAXGD-UHFFFAOYSA-N
XLogP2.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 79950398
1-(2-ethylhexyl)-4-propylcycloheptan-1-ol
CID 65090653
1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol
CID 65085643
3-(2-ethylhexyl)pyrrolidin-3-ol
CID 63587547
1-(2-ethylhexyl)cyclopropan-1-amine
CID 66024000
1-(2-ethylhexyl)-2,4,4-trimethylcyclohexan-1-ol
CID 81314453
4-(2-ethylhexyl)-1-methylazepan-4-ol
CID 65075552
[4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine
CID 65393906
3-(2-ethylhexyl)-3-methylcyclopentan-1-ol
CID 116539984
4-butyl-1-(chloromethyl)-1-(2-ethylhexyl)cyclohexane
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-ethylhexyl)cyclobutan-1-ol?
The IUPAC name of 3-amino-1-(2-ethylhexyl)cyclobutan-1-ol (CID 80561259) is 3-amino-1-(2-ethylhexyl)cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-(2-ethylhexyl)cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-(2-ethylhexyl)cyclobutan-1-ol is CCCCC(CC)CC1(O)CC(N)C1.
What is the InChIKey of 3-amino-1-(2-ethylhexyl)cyclobutan-1-ol?
The InChIKey is JGCJOCPNJAAXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-6-10(4-2)7-12(14)8-11(13)9-12/h10-11,14H,3-9,13H2,1-2H3.
What are the key properties of 3-amino-1-(2-ethylhexyl)cyclobutan-1-ol?
3-amino-1-(2-ethylhexyl)cyclobutan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-ethylhexyl)cyclobutan-1-ol is sourced from PubChem (CID 80561259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).