3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide

C19H41N3O — CID 58105615

IUPAC3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide
SMILESCCCCCCCCCCCCCNC(=O)CCN(C)CCN
InChIInChI=1S/C19H41N3O/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-19(23)14-17-22(2)18-15-20/h3-18,20H2,1-2H3,(H,21,23)
InChIKeyVBQIWSSHPWBWLQ-UHFFFAOYSA-N
MW327.56 g/mol
LogP3.69
Rot. Bonds17

About 3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide

3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide (PubChem CID 58105615) has the molecular formula C19H41N3O and a molecular weight of 327.56 g/mol. Its IUPAC name is 3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide.

Molecular Properties

Compound Name3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide
PubChem CID58105615
Molecular FormulaC19H41N3O
Molecular Weight327.56 g/mol
Exact Mass327.32
IUPAC Name3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide
SMILESCCCCCCCCCCCCCNC(=O)CCN(C)CCN
InChIInChI=1S/C19H41N3O/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-19(23)14-17-22(2)18-15-20/h3-18,20H2,1-2H3,(H,21,23)
InChIKeyVBQIWSSHPWBWLQ-UHFFFAOYSA-N
XLogP3.69
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.56
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[butyl(methyl)amino]-N-pentadecylpropanamide
CID 58040616
3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide
CID 108795355
N-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethyl]-3-[2-[[3-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanamide
CID 170086567
N-(9-aminononyl)nonanamide
CID 154091260
3-[2-[bis[3-oxo-3-(tridecylamino)propyl]amino]ethyl-[3-oxo-3-(tridecylamino)propyl]amino]-N-dodecylpropanamide
CID 58105724
3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 46241399
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[2-[[3-(dodecylamino)-3-oxopropyl]-[3-oxo-3-(tridecylamino)propyl]amino]ethyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 139468441
N-(6-aminohexyl)dodecanamide
CID 13030555
3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide
CID 118180367
N-(4-aminobutyl)tetracosanamide
CID 171117181
N-(2-aminoethyl)nonanamide
CID 13028008
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide
CID 101430189

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide?
The IUPAC name of 3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide (CID 58105615) is 3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide.
What is the SMILES notation for 3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide?
The canonical SMILES for 3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide is CCCCCCCCCCCCCNC(=O)CCN(C)CCN.
What is the InChIKey of 3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide?
The InChIKey is VBQIWSSHPWBWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N3O/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-19(23)14-17-22(2)18-15-20/h3-18,20H2,1-2H3,(H,21,23).
What are the key properties of 3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide?
3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide has a molecular weight of 327.56 g/mol, XLogP of 3.69, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide is sourced from PubChem (CID 58105615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).