2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide

C17H29N3O — CID 107367320

IUPAC2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(CCCN)Cc1ccccc1
InChIInChI=1S/C17H29N3O/c1-4-19(5-2)17(21)15(3)20(13-9-12-18)14-16-10-7-6-8-11-16/h6-8,10-11,15H,4-5,9,12-14,18H2,1-3H3
InChIKeyBPRWWRQQTJRSNP-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.09
Rot. Bonds9

About 2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide

2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide (PubChem CID 107367320) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide
PubChem CID107367320
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(CCCN)Cc1ccccc1
InChIInChI=1S/C17H29N3O/c1-4-19(5-2)17(21)15(3)20(13-9-12-18)14-16-10-7-6-8-11-16/h6-8,10-11,15H,4-5,9,12-14,18H2,1-3H3
InChIKeyBPRWWRQQTJRSNP-UHFFFAOYSA-N
XLogP2.09
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-aminopropyl(benzyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 107367919
N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide
CID 107365679
2-[3-aminopropyl(methyl)amino]-N,N-diethylpropanamide
CID 43116469
2-[N-(3-aminopropyl)-2-fluoroanilino]-N,N-diethylpropanamide
CID 43319089
2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide
CID 54903541
N'-benzyl-N'-propan-2-ylheptane-1,7-diamine
CID 28597865
N-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide
CID 120649030
2-[benzyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide
CID 60684942
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride
CID 120648412
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N'-benzyl-N'-pent-1-yn-3-ylpropane-1,3-diamine
CID 107367944
2-[benzyl(ethyl)amino]-3-methylbutanamide
CID 82041322

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide?
The IUPAC name of 2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide (CID 107367320) is 2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)N(CCCN)Cc1ccccc1.
What is the InChIKey of 2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide?
The InChIKey is BPRWWRQQTJRSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-19(5-2)17(21)15(3)20(13-9-12-18)14-16-10-7-6-8-11-16/h6-8,10-11,15H,4-5,9,12-14,18H2,1-3H3.
What are the key properties of 2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide?
2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide has a molecular weight of 291.44 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 107367320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).