[bis(2-methylpropyl)amino]methanol

C9H21NO — CID 18316479

IUPAC[bis(2-methylpropyl)amino]methanol
SMILESCC(C)CN(CO)CC(C)C
InChIInChI=1S/C9H21NO/c1-8(2)5-10(7-11)6-9(3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyPMQGPKCEUBFSGX-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.55
Rot. Bonds5

About [bis(2-methylpropyl)amino]methanol

[bis(2-methylpropyl)amino]methanol (PubChem CID 18316479) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is [bis(2-methylpropyl)amino]methanol.

Molecular Properties

Compound Name[bis(2-methylpropyl)amino]methanol
PubChem CID18316479
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name[bis(2-methylpropyl)amino]methanol
SMILESCC(C)CN(CO)CC(C)C
InChIInChI=1S/C9H21NO/c1-8(2)5-10(7-11)6-9(3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyPMQGPKCEUBFSGX-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
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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Related Compounds

(Dibutylamino)methanol
CID 106249
2,2'-((2-Methylpropyl)imino)bisethanol
CID 96696
Ethanol, 2-(diisobutylamino)-, hydrochloride
CID 3063124
2-(Diisobutylamino)ethanol
CID 588421
2,2-Dimethyl-3-(methyl(2-methylpropyl)amino)propan-1-ol
CID 62271279
Dipropylaminoethanol
CID 18004289
gamma-Di-i-butylaminopropanol
CID 3030978
(Dipropylamino)methanol
CID 13669047
N-(methoxymethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 14548298
[3-Methylbutyl(2-methylpropyl)amino]methanol
CID 18316029
N,N-diethylpropan-1-amine;methanol;titanium
CID 19048455
1-[Bis(2-methylpropyl)amino]butan-1-ol
CID 19909920

Frequently Asked Questions

What is the IUPAC name of [bis(2-methylpropyl)amino]methanol?
The IUPAC name of [bis(2-methylpropyl)amino]methanol (CID 18316479) is [bis(2-methylpropyl)amino]methanol.
What is the SMILES notation for [bis(2-methylpropyl)amino]methanol?
The canonical SMILES for [bis(2-methylpropyl)amino]methanol is CC(C)CN(CO)CC(C)C.
What is the InChIKey of [bis(2-methylpropyl)amino]methanol?
The InChIKey is PMQGPKCEUBFSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(2)5-10(7-11)6-9(3)4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of [bis(2-methylpropyl)amino]methanol?
[bis(2-methylpropyl)amino]methanol has a molecular weight of 159.27 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(2-methylpropyl)amino]methanol is sourced from PubChem (CID 18316479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).