1-butoxy-3-(propan-2-ylamino)propan-2-ol

C10H23NO2 — CID 3067037

IUPAC1-butoxy-3-(propan-2-ylamino)propan-2-ol
SMILESCCCCOCC(O)CNC(C)C
InChIInChI=1S/C10H23NO2/c1-4-5-6-13-8-10(12)7-11-9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyMPKDLRDPGPYHDY-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.16
Rot. Bonds8

About 1-butoxy-3-(propan-2-ylamino)propan-2-ol

1-butoxy-3-(propan-2-ylamino)propan-2-ol (PubChem CID 3067037) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-butoxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-(propan-2-ylamino)propan-2-ol
PubChem CID3067037
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1-butoxy-3-(propan-2-ylamino)propan-2-ol
SMILESCCCCOCC(O)CNC(C)C
InChIInChI=1S/C10H23NO2/c1-4-5-6-13-8-10(12)7-11-9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyMPKDLRDPGPYHDY-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.16
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 1-butoxy-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-butoxy-3-(propan-2-ylamino)propan-2-ol (CID 3067037) is 1-butoxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-butoxy-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-butoxy-3-(propan-2-ylamino)propan-2-ol is CCCCOCC(O)CNC(C)C.
What is the InChIKey of 1-butoxy-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is MPKDLRDPGPYHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-4-5-6-13-8-10(12)7-11-9(2)3/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-butoxy-3-(propan-2-ylamino)propan-2-ol?
1-butoxy-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 189.30 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 3067037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).