N-butan-2-yl-N-methylbutan-2-amine;2-methylpropane-1,2-diol

C13H31NO2 — CID 19889994

IUPACN-butan-2-yl-N-methylbutan-2-amine;2-methylpropane-1,2-diol
SMILESCC(C)(O)CO.CCC(C)N(C)C(C)CC
InChIInChI=1S/C9H21N.C4H10O2/c1-6-8(3)10(5)9(4)7-2;1-4(2,6)3-5/h8-9H,6-7H2,1-5H3;5-6H,3H2,1-2H3
InChIKeyGGVZOJHRBRNNJP-UHFFFAOYSA-N
MW233.40 g/mol
LogP2.26
Rot. Bonds5

About N-butan-2-yl-N-methylbutan-2-amine;2-methylpropane-1,2-diol

N-butan-2-yl-N-methylbutan-2-amine;2-methylpropane-1,2-diol (PubChem CID 19889994) has the molecular formula C13H31NO2 and a molecular weight of 233.40 g/mol. Its IUPAC name is N-butan-2-yl-N-methylbutan-2-amine;2-methylpropane-1,2-diol.

Molecular Properties

Compound NameN-butan-2-yl-N-methylbutan-2-amine;2-methylpropane-1,2-diol
PubChem CID19889994
Molecular FormulaC13H31NO2
Molecular Weight233.40 g/mol
Exact Mass233.24
IUPAC NameN-butan-2-yl-N-methylbutan-2-amine;2-methylpropane-1,2-diol
SMILESCC(C)(O)CO.CCC(C)N(C)C(C)CC
InChIInChI=1S/C9H21N.C4H10O2/c1-6-8(3)10(5)9(4)7-2;1-4(2,6)3-5/h8-9H,6-7H2,1-5H3;5-6H,3H2,1-2H3
InChIKeyGGVZOJHRBRNNJP-UHFFFAOYSA-N
XLogP2.26
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-phosphanylpropane-1,2-diol;bis(2-methylpropane-1,2-diol)
CID 89183868
2-N-butan-2-yl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62568252
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 104553558
3-[butan-2-yl(methyl)amino]butanethioamide
CID 60913502
2-N-butan-2-yl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62418881
(2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 93483386
1-[butan-2-yl(methyl)amino]butan-1-ol
CID 88539687
N-butan-2-yl-N-methylhexan-2-amine
CID 146247078
ethanol;N-ethyl-N-methylbutan-2-amine
CID 88665747
2-amino-2-methyl-4-[methyl(propan-2-yl)amino]pentan-1-ol
CID 64796081
2-amino-5-[butan-2-yl(methyl)amino]-2-methylpentan-1-ol
CID 64797842
N-methyl-N-[(2-methylpropan-2-yl)oxymethyl]butan-2-amine
CID 123760807

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methylbutan-2-amine;2-methylpropane-1,2-diol?
The IUPAC name of N-butan-2-yl-N-methylbutan-2-amine;2-methylpropane-1,2-diol (CID 19889994) is N-butan-2-yl-N-methylbutan-2-amine;2-methylpropane-1,2-diol.
What is the SMILES notation for N-butan-2-yl-N-methylbutan-2-amine;2-methylpropane-1,2-diol?
The canonical SMILES for N-butan-2-yl-N-methylbutan-2-amine;2-methylpropane-1,2-diol is CC(C)(O)CO.CCC(C)N(C)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-methylbutan-2-amine;2-methylpropane-1,2-diol?
The InChIKey is GGVZOJHRBRNNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C4H10O2/c1-6-8(3)10(5)9(4)7-2;1-4(2,6)3-5/h8-9H,6-7H2,1-5H3;5-6H,3H2,1-2H3.
What are the key properties of N-butan-2-yl-N-methylbutan-2-amine;2-methylpropane-1,2-diol?
N-butan-2-yl-N-methylbutan-2-amine;2-methylpropane-1,2-diol has a molecular weight of 233.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methylbutan-2-amine;2-methylpropane-1,2-diol is sourced from PubChem (CID 19889994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).