3-(4-methylpentylamino)-N-propylpropanamide

C12H26N2O — CID 83156372

IUPAC3-(4-methylpentylamino)-N-propylpropanamide
SMILESCCCNC(=O)CCNCCCC(C)C
InChIInChI=1S/C12H26N2O/c1-4-8-14-12(15)7-10-13-9-5-6-11(2)3/h11,13H,4-10H2,1-3H3,(H,14,15)
InChIKeyTUFVBHHLBLLARQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.93
Rot. Bonds9

About 3-(4-methylpentylamino)-N-propylpropanamide

3-(4-methylpentylamino)-N-propylpropanamide (PubChem CID 83156372) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(4-methylpentylamino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(4-methylpentylamino)-N-propylpropanamide
PubChem CID83156372
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-(4-methylpentylamino)-N-propylpropanamide
SMILESCCCNC(=O)CCNCCCC(C)C
InChIInChI=1S/C12H26N2O/c1-4-8-14-12(15)7-10-13-9-5-6-11(2)3/h11,13H,4-10H2,1-3H3,(H,14,15)
InChIKeyTUFVBHHLBLLARQ-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylpropylamino)-N-propylpropanamide
CID 61059626
2-(5-methylhexylamino)-N-propylacetamide
CID 115325791
3-(6-hydroxyhexylamino)-N-propylpropanamide
CID 107703341
3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide
CID 58040564
3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 155228791
3-(hexylamino)-N-tetradecylpropanamide
CID 58105395
N-butyl-7-methyloctanamide
CID 154028337
N-(4-methylpentyl)propanamide
CID 54140551
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
2-(3-methylbutylamino)-N-propylacetamide
CID 28576469
N-hexyl-6-methylheptanamide
CID 141197249
3-(tert-butylamino)-N-(4-methylpentyl)propanamide
CID 61044511

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentylamino)-N-propylpropanamide?
The IUPAC name of 3-(4-methylpentylamino)-N-propylpropanamide (CID 83156372) is 3-(4-methylpentylamino)-N-propylpropanamide.
What is the SMILES notation for 3-(4-methylpentylamino)-N-propylpropanamide?
The canonical SMILES for 3-(4-methylpentylamino)-N-propylpropanamide is CCCNC(=O)CCNCCCC(C)C.
What is the InChIKey of 3-(4-methylpentylamino)-N-propylpropanamide?
The InChIKey is TUFVBHHLBLLARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-8-14-12(15)7-10-13-9-5-6-11(2)3/h11,13H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 3-(4-methylpentylamino)-N-propylpropanamide?
3-(4-methylpentylamino)-N-propylpropanamide has a molecular weight of 214.35 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentylamino)-N-propylpropanamide is sourced from PubChem (CID 83156372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).