1-(cyclopropylamino)-2-methyloctan-2-ol

C12H25NO — CID 62774325

IUPAC1-(cyclopropylamino)-2-methyloctan-2-ol
SMILESCCCCCCC(C)(O)CNC1CC1
InChIInChI=1S/C12H25NO/c1-3-4-5-6-9-12(2,14)10-13-11-7-8-11/h11,13-14H,3-10H2,1-2H3
InChIKeyROUJEHHECKKDCA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.46
Rot. Bonds8

About 1-(cyclopropylamino)-2-methyloctan-2-ol

1-(cyclopropylamino)-2-methyloctan-2-ol (PubChem CID 62774325) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-methyloctan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-methyloctan-2-ol
PubChem CID62774325
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(cyclopropylamino)-2-methyloctan-2-ol
SMILESCCCCCCC(C)(O)CNC1CC1
InChIInChI=1S/C12H25NO/c1-3-4-5-6-9-12(2,14)10-13-11-7-8-11/h11,13-14H,3-10H2,1-2H3
InChIKeyROUJEHHECKKDCA-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylnonyl)cyclopropanamine
CID 63523416
N-(2,2-dimethyloctyl)cyclopropanamine
CID 62724340
1-butoxy-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66334437
2-methyl-1-(methylamino)undecan-2-ol
CID 66039125
1-(cyclopropylamino)-2-methyl-5-methylsulfonylpentan-2-ol
CID 66039408
1-(cyclopropylamino)-2-methyl-3-octan-2-yloxypropan-2-ol
CID 66334578
13-methylheptacosan-13-ol
CID 87343529
1-(tert-butylamino)-2-methylnonan-2-ol
CID 62774519
3-(cyclopropylamino)-2-methylpropane-1,2-diol
CID 66335197
2-methyl-1-[(1-oxothian-4-yl)amino]pentan-2-ol
CID 106290615
2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol
CID 103783342
4,7-dimethylpentadecane-4,7-diol
CID 89335583

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-methyloctan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-2-methyloctan-2-ol (CID 62774325) is 1-(cyclopropylamino)-2-methyloctan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-2-methyloctan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-2-methyloctan-2-ol is CCCCCCC(C)(O)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-2-methyloctan-2-ol?
The InChIKey is ROUJEHHECKKDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-4-5-6-9-12(2,14)10-13-11-7-8-11/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-2-methyloctan-2-ol?
1-(cyclopropylamino)-2-methyloctan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-methyloctan-2-ol is sourced from PubChem (CID 62774325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).