1-(cyclopropylamino)-3-(4-methylpentoxy)propan-2-ol

C12H25NO2 — CID 43090618

IUPAC1-(cyclopropylamino)-3-(4-methylpentoxy)propan-2-ol
SMILESCC(C)CCCOCC(O)CNC1CC1
InChIInChI=1S/C12H25NO2/c1-10(2)4-3-7-15-9-12(14)8-13-11-5-6-11/h10-14H,3-9H2,1-2H3
InChIKeyKGFWSZXUSVVIRI-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds9

About 1-(cyclopropylamino)-3-(4-methylpentoxy)propan-2-ol

1-(cyclopropylamino)-3-(4-methylpentoxy)propan-2-ol (PubChem CID 43090618) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(4-methylpentoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(4-methylpentoxy)propan-2-ol
PubChem CID43090618
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(cyclopropylamino)-3-(4-methylpentoxy)propan-2-ol
SMILESCC(C)CCCOCC(O)CNC1CC1
InChIInChI=1S/C12H25NO2/c1-10(2)4-3-7-15-9-12(14)8-13-11-5-6-11/h10-14H,3-9H2,1-2H3
InChIKeyKGFWSZXUSVVIRI-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 13615222
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CID 3067052
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CID 12606685
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CID 60632638
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CID 60729581
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CID 63226875
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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(4-methylpentoxy)propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(4-methylpentoxy)propan-2-ol (CID 43090618) is 1-(cyclopropylamino)-3-(4-methylpentoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(4-methylpentoxy)propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(4-methylpentoxy)propan-2-ol is CC(C)CCCOCC(O)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-3-(4-methylpentoxy)propan-2-ol?
The InChIKey is KGFWSZXUSVVIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)4-3-7-15-9-12(14)8-13-11-5-6-11/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-(4-methylpentoxy)propan-2-ol?
1-(cyclopropylamino)-3-(4-methylpentoxy)propan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(4-methylpentoxy)propan-2-ol is sourced from PubChem (CID 43090618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).