1-(cyclopropylamino)-2-methyl-3-(2-methylpentoxy)propan-2-ol

C13H27NO2 — CID 103283560

IUPAC1-(cyclopropylamino)-2-methyl-3-(2-methylpentoxy)propan-2-ol
SMILESCCCC(C)COCC(C)(O)CNC1CC1
InChIInChI=1S/C13H27NO2/c1-4-5-11(2)8-16-10-13(3,15)9-14-12-6-7-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeyMIOSAWVLDQMCNW-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds9

About 1-(cyclopropylamino)-2-methyl-3-(2-methylpentoxy)propan-2-ol

1-(cyclopropylamino)-2-methyl-3-(2-methylpentoxy)propan-2-ol (PubChem CID 103283560) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-methyl-3-(2-methylpentoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-methyl-3-(2-methylpentoxy)propan-2-ol
PubChem CID103283560
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(cyclopropylamino)-2-methyl-3-(2-methylpentoxy)propan-2-ol
SMILESCCCC(C)COCC(C)(O)CNC1CC1
InChIInChI=1S/C13H27NO2/c1-4-5-11(2)8-16-10-13(3,15)9-14-12-6-7-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeyMIOSAWVLDQMCNW-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butoxy-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66334437
1-amino-2-methyl-3-(2-methylpentoxy)propan-2-ol
CID 103286081
N-[2-methyl-3-(2-methylpentoxy)propyl]cyclopropanamine
CID 103284483
1-(cyclopropylamino)-2-methyl-3-octan-2-yloxypropan-2-ol
CID 66334578
1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropan-2-ol
CID 66334601
1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-2-ol
CID 104561121
3-(cyclopropylamino)-2-methylpropane-1,2-diol
CID 66335197
N-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79626833
N-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine
CID 102641124
1-(cyclopropylamino)-2-methyloctan-2-ol
CID 62774325
2-amino-2-methyl-3-(2-methylpentoxy)propan-1-ol
CID 103286036
2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid
CID 103284916

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-methyl-3-(2-methylpentoxy)propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-2-methyl-3-(2-methylpentoxy)propan-2-ol (CID 103283560) is 1-(cyclopropylamino)-2-methyl-3-(2-methylpentoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-2-methyl-3-(2-methylpentoxy)propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-2-methyl-3-(2-methylpentoxy)propan-2-ol is CCCC(C)COCC(C)(O)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-2-methyl-3-(2-methylpentoxy)propan-2-ol?
The InChIKey is MIOSAWVLDQMCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-5-11(2)8-16-10-13(3,15)9-14-12-6-7-12/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 1-(cyclopropylamino)-2-methyl-3-(2-methylpentoxy)propan-2-ol?
1-(cyclopropylamino)-2-methyl-3-(2-methylpentoxy)propan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-methyl-3-(2-methylpentoxy)propan-2-ol is sourced from PubChem (CID 103283560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).