3-(1-amino-2-cyclopropylbutan-2-yl)oxypropan-1-ol

C10H21NO2 — CID 103377473

IUPAC3-(1-amino-2-cyclopropylbutan-2-yl)oxypropan-1-ol
SMILESCCC(CN)(OCCCO)C1CC1
InChIInChI=1S/C10H21NO2/c1-2-10(8-11,9-4-5-9)13-7-3-6-12/h9,12H,2-8,11H2,1H3
InChIKeyAVKJEXUUDJRMKP-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.90
Rot. Bonds7

About 3-(1-amino-2-cyclopropylbutan-2-yl)oxypropan-1-ol

3-(1-amino-2-cyclopropylbutan-2-yl)oxypropan-1-ol (PubChem CID 103377473) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(1-amino-2-cyclopropylbutan-2-yl)oxypropan-1-ol.

Molecular Properties

Compound Name3-(1-amino-2-cyclopropylbutan-2-yl)oxypropan-1-ol
PubChem CID103377473
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(1-amino-2-cyclopropylbutan-2-yl)oxypropan-1-ol
SMILESCCC(CN)(OCCCO)C1CC1
InChIInChI=1S/C10H21NO2/c1-2-10(8-11,9-4-5-9)13-7-3-6-12/h9,12H,2-8,11H2,1H3
InChIKeyAVKJEXUUDJRMKP-UHFFFAOYSA-N
XLogP0.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1-amino-2-cyclopropylbutan-2-yl)oxypropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Amino-4-(cyclopropylmethoxy)-2-methylpentan-2-ol
CID 64814199
3-[1-(Aminomethyl)-3-methylcyclopentyl]oxypropan-1-ol
CID 65051999
2-Cyclopropyl-2-ethoxybutan-1-amine
CID 66071948
2-[(1-Amino-2-cyclopropylbutan-2-yl)oxy]ethan-1-ol
CID 103376903
2-[(1-Amino-2-cyclopropylpropan-2-yl)oxy]ethan-1-ol
CID 103376926
3-(1-Amino-3-cyclopropyl-2-methylpropan-2-yl)oxybutan-2-ol
CID 103377136
3-(1-Amino-2-cyclopropylbutan-2-yl)oxybutan-2-ol
CID 103377193
3-(1-Amino-2-cyclopropylpropan-2-yl)oxybutan-2-ol
CID 103377213
3-(1-Amino-3-methylhexan-2-yl)oxypropan-1-ol
CID 103377261
3-(1-Amino-4-methoxy-2,4-dimethylpentan-2-yl)oxypropan-1-ol
CID 103377289
3-(1-Amino-2,5-dimethylhexan-2-yl)oxypropan-1-ol
CID 103377323
3-[(1-Amino-2-methylpentan-2-yl)oxy]propan-1-ol
CID 103377324

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-cyclopropylbutan-2-yl)oxypropan-1-ol?
The IUPAC name of 3-(1-amino-2-cyclopropylbutan-2-yl)oxypropan-1-ol (CID 103377473) is 3-(1-amino-2-cyclopropylbutan-2-yl)oxypropan-1-ol.
What is the SMILES notation for 3-(1-amino-2-cyclopropylbutan-2-yl)oxypropan-1-ol?
The canonical SMILES for 3-(1-amino-2-cyclopropylbutan-2-yl)oxypropan-1-ol is CCC(CN)(OCCCO)C1CC1.
What is the InChIKey of 3-(1-amino-2-cyclopropylbutan-2-yl)oxypropan-1-ol?
The InChIKey is AVKJEXUUDJRMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-10(8-11,9-4-5-9)13-7-3-6-12/h9,12H,2-8,11H2,1H3.
What are the key properties of 3-(1-amino-2-cyclopropylbutan-2-yl)oxypropan-1-ol?
3-(1-amino-2-cyclopropylbutan-2-yl)oxypropan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-cyclopropylbutan-2-yl)oxypropan-1-ol is sourced from PubChem (CID 103377473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).