2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol

C15H31NO2 — CID 64805041

IUPAC2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)CCCOCC(CO)(NC(C)C)C1CC1
InChIInChI=1S/C15H31NO2/c1-12(2)6-5-9-18-11-15(10-17,14-7-8-14)16-13(3)4/h12-14,16-17H,5-11H2,1-4H3
InChIKeySJWFNSKVKGQMQF-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.58
Rot. Bonds10

About 2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol

2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64805041) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol
PubChem CID64805041
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)CCCOCC(CO)(NC(C)C)C1CC1
InChIInChI=1S/C15H31NO2/c1-12(2)6-5-9-18-11-15(10-17,14-7-8-14)16-13(3)4/h12-14,16-17H,5-11H2,1-4H3
InChIKeySJWFNSKVKGQMQF-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol (CID 64805041) is 2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol is CC(C)CCCOCC(CO)(NC(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is SJWFNSKVKGQMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-12(2)6-5-9-18-11-15(10-17,14-7-8-14)16-13(3)4/h12-14,16-17H,5-11H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol?
2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 2.58, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64805041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).