3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide

C11H24N2O2 — CID 115920289

IUPAC3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide
SMILESCCC(CC)(CO)NC(C)CC(=O)NC
InChIInChI=1S/C11H24N2O2/c1-5-11(6-2,8-14)13-9(3)7-10(15)12-4/h9,13-14H,5-8H2,1-4H3,(H,12,15)
InChIKeyOEZPJNPEMWIGLQ-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.65
Rot. Bonds7

About 3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide

3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide (PubChem CID 115920289) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide
PubChem CID115920289
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide
SMILESCCC(CC)(CO)NC(C)CC(=O)NC
InChIInChI=1S/C11H24N2O2/c1-5-11(6-2,8-14)13-9(3)7-10(15)12-4/h9,13-14H,5-8H2,1-4H3,(H,12,15)
InChIKeyOEZPJNPEMWIGLQ-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(hydroxymethyl)pentan-3-ylamino]butanoic acid
CID 62517979
methyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate
CID 103952300
2-ethyl-2-(4-methylpentan-2-ylamino)propane-1,3-diol
CID 115927596
3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide
CID 115920632
2-ethyl-2-(1-methylsulfonylpropan-2-ylamino)propane-1,3-diol
CID 103935626
N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide
CID 114010536
(3R)-3-acetamido-N-methylbutanamide
CID 87931486
2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol
CID 103935629
2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62521063
2-(butan-2-ylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 107865562
tert-butyl 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanoate
CID 107865292
N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide
CID 62520694

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide?
The IUPAC name of 3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide (CID 115920289) is 3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide.
What is the SMILES notation for 3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide?
The canonical SMILES for 3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide is CCC(CC)(CO)NC(C)CC(=O)NC.
What is the InChIKey of 3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide?
The InChIKey is OEZPJNPEMWIGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-11(6-2,8-14)13-9(3)7-10(15)12-4/h9,13-14H,5-8H2,1-4H3,(H,12,15).
What are the key properties of 3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide?
3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide has a molecular weight of 216.32 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide is sourced from PubChem (CID 115920289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).