3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N-propylpropanamide

C12H26N2O2 — CID 81418525

IUPAC3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCC(C)(CC)CO
InChIInChI=1S/C12H26N2O2/c1-4-7-14-11(16)6-8-13-9-12(3,5-2)10-15/h13,15H,4-10H2,1-3H3,(H,14,16)
InChIKeyPDHFOHOAQZTHBD-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.90
Rot. Bonds9

About 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N-propylpropanamide

3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N-propylpropanamide (PubChem CID 81418525) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N-propylpropanamide
PubChem CID81418525
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCC(C)(CC)CO
InChIInChI=1S/C12H26N2O2/c1-4-7-14-11(16)6-8-13-9-12(3,5-2)10-15/h13,15H,4-10H2,1-3H3,(H,14,16)
InChIKeyPDHFOHOAQZTHBD-UHFFFAOYSA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-[[3-oxo-3-(propylamino)propyl]amino]propanoic acid
CID 79624064
3-[2-[[2-(hydroxymethyl)-2-methylbutyl]amino]ethyl]-1,1-dimethylurea
CID 83116818
2-[(2-aminoethylamino)methyl]-2-methylbutan-1-ol
CID 81418901
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 25171583
3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 155228791
3-(6-hydroxyhexylamino)-N-propylpropanamide
CID 107703341
3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide
CID 106723535
N-ethyl-3-[(2-hydroxy-2-methylpropyl)amino]propanamide
CID 65106246
3-(2-methylpropylamino)-N-propylpropanamide
CID 61059626
3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 64678840
3-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanenitrile
CID 81413090
N'-(2-amino-2-methylpropyl)-N-propylpentanediamide
CID 119630026

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N-propylpropanamide?
The IUPAC name of 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N-propylpropanamide (CID 81418525) is 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N-propylpropanamide is CCCNC(=O)CCNCC(C)(CC)CO.
What is the InChIKey of 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N-propylpropanamide?
The InChIKey is PDHFOHOAQZTHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-7-14-11(16)6-8-13-9-12(3,5-2)10-15/h13,15H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N-propylpropanamide?
3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N-propylpropanamide has a molecular weight of 230.35 g/mol, XLogP of 0.90, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N-propylpropanamide is sourced from PubChem (CID 81418525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).