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

C9H21NO — CID 22030584

IUPAC1-[di(propan-2-yl)amino]propan-2-ol
SMILESCC(O)CN(C(C)C)C(C)C
InChIInChI=1S/C9H21NO/c1-7(2)10(8(3)4)6-9(5)11/h7-9,11H,6H2,1-5H3
InChIKeyIPWSGYSCKAXGQD-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.49
Rot. Bonds4

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

1-[di(propan-2-yl)amino]propan-2-ol (PubChem CID 22030584) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-[di(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[di(propan-2-yl)amino]propan-2-ol
PubChem CID22030584
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-[di(propan-2-yl)amino]propan-2-ol
SMILESCC(O)CN(C(C)C)C(C)C
InChIInChI=1S/C9H21NO/c1-7(2)10(8(3)4)6-9(5)11/h7-9,11H,6H2,1-5H3
InChIKeyIPWSGYSCKAXGQD-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[di(propan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[di(propan-2-yl)amino]propan-2-ol (CID 22030584) is 1-[di(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[di(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[di(propan-2-yl)amino]propan-2-ol is CC(O)CN(C(C)C)C(C)C.
What is the InChIKey of 1-[di(propan-2-yl)amino]propan-2-ol?
The InChIKey is IPWSGYSCKAXGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-7(2)10(8(3)4)6-9(5)11/h7-9,11H,6H2,1-5H3.
What are the key properties of 1-[di(propan-2-yl)amino]propan-2-ol?
1-[di(propan-2-yl)amino]propan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 22030584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).