3-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide

C13H27N3O2 — CID 81087870

IUPAC3-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide
SMILESCCCN(CC(=O)N(C)C)C(=O)CC(CC)CN
InChIInChI=1S/C13H27N3O2/c1-5-7-16(10-13(18)15(3)4)12(17)8-11(6-2)9-14/h11H,5-10,14H2,1-4H3
InChIKeyDDRMTFJNGOZODL-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.69
Rot. Bonds8

About 3-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide

3-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide (PubChem CID 81087870) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide
PubChem CID81087870
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide
SMILESCCCN(CC(=O)N(C)C)C(=O)CC(CC)CN
InChIInChI=1S/C13H27N3O2/c1-5-7-16(10-13(18)15(3)4)12(17)8-11(6-2)9-14/h11H,5-10,14H2,1-4H3
InChIKeyDDRMTFJNGOZODL-UHFFFAOYSA-N
XLogP0.69
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2-hydroxyethyl)-N-propylpentanamide
CID 81086704
3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide
CID 81087093
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 61042597
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide
CID 79023216
3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide
CID 81072118
3-amino-4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 64894953
4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 54916205
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide
CID 54916217
4-amino-3-methyl-N,N-dipropylbutanamide
CID 81070980
N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide
CID 54916358
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,2,3-trimethyl-N-propylbutanamide
CID 65270059
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide
CID 61158178

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide?
The IUPAC name of 3-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide (CID 81087870) is 3-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide is CCCN(CC(=O)N(C)C)C(=O)CC(CC)CN.
What is the InChIKey of 3-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide?
The InChIKey is DDRMTFJNGOZODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-7-16(10-13(18)15(3)4)12(17)8-11(6-2)9-14/h11H,5-10,14H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide?
3-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide has a molecular weight of 257.38 g/mol, XLogP of 0.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide is sourced from PubChem (CID 81087870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).