[di(butan-2-yl)amino]methanol

C9H21NO — CID 22013661

IUPAC[di(butan-2-yl)amino]methanol
SMILESCCC(C)N(CO)C(C)CC
InChIInChI=1S/C9H21NO/c1-5-8(3)10(7-11)9(4)6-2/h8-9,11H,5-7H2,1-4H3
InChIKeyRHMSUMNPYKKBIW-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.84
Rot. Bonds5

About [di(butan-2-yl)amino]methanol

[di(butan-2-yl)amino]methanol (PubChem CID 22013661) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is [di(butan-2-yl)amino]methanol.

Molecular Properties

Compound Name[di(butan-2-yl)amino]methanol
PubChem CID22013661
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name[di(butan-2-yl)amino]methanol
SMILESCCC(C)N(CO)C(C)CC
InChIInChI=1S/C9H21NO/c1-5-8(3)10(7-11)9(4)6-2/h8-9,11H,5-7H2,1-4H3
InChIKeyRHMSUMNPYKKBIW-UHFFFAOYSA-N
XLogP1.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.84
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 [di(butan-2-yl)amino]methanol?
The IUPAC name of [di(butan-2-yl)amino]methanol (CID 22013661) is [di(butan-2-yl)amino]methanol.
What is the SMILES notation for [di(butan-2-yl)amino]methanol?
The canonical SMILES for [di(butan-2-yl)amino]methanol is CCC(C)N(CO)C(C)CC.
What is the InChIKey of [di(butan-2-yl)amino]methanol?
The InChIKey is RHMSUMNPYKKBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-8(3)10(7-11)9(4)6-2/h8-9,11H,5-7H2,1-4H3.
What are the key properties of [di(butan-2-yl)amino]methanol?
[di(butan-2-yl)amino]methanol has a molecular weight of 159.27 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [di(butan-2-yl)amino]methanol is sourced from PubChem (CID 22013661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).