1-[di(butan-2-yl)amino]propan-1-ol

C11H25NO — CID 21259581

IUPAC1-[di(butan-2-yl)amino]propan-1-ol
SMILESCCC(C)N(C(C)CC)C(O)CC
InChIInChI=1S/C11H25NO/c1-6-9(4)12(10(5)7-2)11(13)8-3/h9-11,13H,6-8H2,1-5H3
InChIKeyTYTBPWATIIBSCZ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.61
Rot. Bonds6

About 1-[di(butan-2-yl)amino]propan-1-ol

1-[di(butan-2-yl)amino]propan-1-ol (PubChem CID 21259581) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-[di(butan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-[di(butan-2-yl)amino]propan-1-ol
PubChem CID21259581
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name1-[di(butan-2-yl)amino]propan-1-ol
SMILESCCC(C)N(C(C)CC)C(O)CC
InChIInChI=1S/C11H25NO/c1-6-9(4)12(10(5)7-2)11(13)8-3/h9-11,13H,6-8H2,1-5H3
InChIKeyTYTBPWATIIBSCZ-UHFFFAOYSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[di(butan-2-yl)amino]propan-1-ol?
The IUPAC name of 1-[di(butan-2-yl)amino]propan-1-ol (CID 21259581) is 1-[di(butan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 1-[di(butan-2-yl)amino]propan-1-ol?
The canonical SMILES for 1-[di(butan-2-yl)amino]propan-1-ol is CCC(C)N(C(C)CC)C(O)CC.
What is the InChIKey of 1-[di(butan-2-yl)amino]propan-1-ol?
The InChIKey is TYTBPWATIIBSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-9(4)12(10(5)7-2)11(13)8-3/h9-11,13H,6-8H2,1-5H3.
What are the key properties of 1-[di(butan-2-yl)amino]propan-1-ol?
1-[di(butan-2-yl)amino]propan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(butan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 21259581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).