2-(3-methylbutylamino)propane-1,3-diol

C8H19NO2 — CID 22723330

IUPAC2-(3-methylbutylamino)propane-1,3-diol
SMILESCC(C)CCNC(CO)CO
InChIInChI=1S/C8H19NO2/c1-7(2)3-4-9-8(5-10)6-11/h7-11H,3-6H2,1-2H3
InChIKeyQOYJECBZDWOUFN-UHFFFAOYSA-N
MW161.24 g/mol
LogP-0.02
Rot. Bonds6

About 2-(3-methylbutylamino)propane-1,3-diol

2-(3-methylbutylamino)propane-1,3-diol (PubChem CID 22723330) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-(3-methylbutylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(3-methylbutylamino)propane-1,3-diol
PubChem CID22723330
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name2-(3-methylbutylamino)propane-1,3-diol
SMILESCC(C)CCNC(CO)CO
InChIInChI=1S/C8H19NO2/c1-7(2)3-4-9-8(5-10)6-11/h7-11H,3-6H2,1-2H3
InChIKeyQOYJECBZDWOUFN-UHFFFAOYSA-N
XLogP-0.02
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylbutylamino)-3-phenylsulfanylpropan-1-ol;hydrochloride
CID 22723357
2-(3-methylbutylamino)propanoic acid
CID 16769163
(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021
1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine
CID 65025886
4-methyl-3-(3-methylbutylamino)pentan-1-ol
CID 104696133
4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol
CID 64798491
2-(butylamino)-4-methylpentan-1-ol
CID 61246841
methanamine;3-methyl-N-propan-2-ylbutan-1-amine
CID 169260441
2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol
CID 103033211
2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide
CID 61247605
4-methyl-N-(3-methylbutyl)pentan-2-amine
CID 21355637
(2S)-2-(decylamino)-4-methylpentan-1-ol
CID 98495932

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)propane-1,3-diol?
The IUPAC name of 2-(3-methylbutylamino)propane-1,3-diol (CID 22723330) is 2-(3-methylbutylamino)propane-1,3-diol.
What is the SMILES notation for 2-(3-methylbutylamino)propane-1,3-diol?
The canonical SMILES for 2-(3-methylbutylamino)propane-1,3-diol is CC(C)CCNC(CO)CO.
What is the InChIKey of 2-(3-methylbutylamino)propane-1,3-diol?
The InChIKey is QOYJECBZDWOUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-7(2)3-4-9-8(5-10)6-11/h7-11H,3-6H2,1-2H3.
What are the key properties of 2-(3-methylbutylamino)propane-1,3-diol?
2-(3-methylbutylamino)propane-1,3-diol has a molecular weight of 161.24 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)propane-1,3-diol is sourced from PubChem (CID 22723330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).