4-[methyl(propyl)amino]butane-1,2-diol

C8H19NO2 — CID 87171771

IUPAC4-[methyl(propyl)amino]butane-1,2-diol
SMILESCCCN(C)CCC(O)CO
InChIInChI=1S/C8H19NO2/c1-3-5-9(2)6-4-8(11)7-10/h8,10-11H,3-7H2,1-2H3
InChIKeyHNUFTESUKYEYKV-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.07
Rot. Bonds6

About 4-[methyl(propyl)amino]butane-1,2-diol

4-[methyl(propyl)amino]butane-1,2-diol (PubChem CID 87171771) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 4-[methyl(propyl)amino]butane-1,2-diol.

Molecular Properties

Compound Name4-[methyl(propyl)amino]butane-1,2-diol
PubChem CID87171771
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name4-[methyl(propyl)amino]butane-1,2-diol
SMILESCCCN(C)CCC(O)CO
InChIInChI=1S/C8H19NO2/c1-3-5-9(2)6-4-8(11)7-10/h8,10-11H,3-7H2,1-2H3
InChIKeyHNUFTESUKYEYKV-UHFFFAOYSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol
CID 171541613
2-(ethylamino)-4-[methyl(propyl)amino]butan-1-ol
CID 64798712
1-[methyl(propyl)amino]pentan-2-ol
CID 62042570
N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
(3S)-N,3-dimethyl-N-propylpentan-1-amine
CID 144585217
N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 167171519
3-[butyl(methyl)amino]propane-1,1-diol
CID 87637565
3-ethyl-N,4-dimethyl-N-propylpentan-1-amine
CID 155439890
triacontane-1,2-diol
CID 19770548
tricosane-1,2-diol
CID 42607324
octane-1,2-diol
CID 159791136

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propyl)amino]butane-1,2-diol?
The IUPAC name of 4-[methyl(propyl)amino]butane-1,2-diol (CID 87171771) is 4-[methyl(propyl)amino]butane-1,2-diol.
What is the SMILES notation for 4-[methyl(propyl)amino]butane-1,2-diol?
The canonical SMILES for 4-[methyl(propyl)amino]butane-1,2-diol is CCCN(C)CCC(O)CO.
What is the InChIKey of 4-[methyl(propyl)amino]butane-1,2-diol?
The InChIKey is HNUFTESUKYEYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-3-5-9(2)6-4-8(11)7-10/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 4-[methyl(propyl)amino]butane-1,2-diol?
4-[methyl(propyl)amino]butane-1,2-diol has a molecular weight of 161.24 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propyl)amino]butane-1,2-diol is sourced from PubChem (CID 87171771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).