2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide

C13H29N3O — CID 54957057

IUPAC2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide
SMILESCCCN(CCCN)CC(=O)NC(CC)CC
InChIInChI=1S/C13H29N3O/c1-4-9-16(10-7-8-14)11-13(17)15-12(5-2)6-3/h12H,4-11,14H2,1-3H3,(H,15,17)
InChIKeyZTFRKSITYZAZJP-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.35
Rot. Bonds10

About 2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide

2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide (PubChem CID 54957057) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide
PubChem CID54957057
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide
SMILESCCCN(CCCN)CC(=O)NC(CC)CC
InChIInChI=1S/C13H29N3O/c1-4-9-16(10-7-8-14)11-13(17)15-12(5-2)6-3/h12H,4-11,14H2,1-3H3,(H,15,17)
InChIKeyZTFRKSITYZAZJP-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-aminopropyl(propyl)amino]-N-carbamoylacetamide
CID 43137300
methyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate
CID 61035559
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide
CID 61490080
2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide
CID 61486750
2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide
CID 62008778
2-[3-aminopropyl(cycloheptyl)amino]-N-pentan-3-ylacetamide
CID 61487094
2-[3-aminopropyl(propyl)amino]-N,N-dimethylacetamide
CID 43137311
N-butan-2-yl-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691813
2-[2-hydroxyethyl(propyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60691833
methyl (2S,3R)-2-[[2-[2-hydroxyethyl(propyl)amino]acetyl]amino]-3-methylpentanoate
CID 98762908
2-[(3-amino-3-sulfanylidenepropyl)-ethylamino]-N-pentan-3-ylacetamide
CID 54992977

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide (CID 54957057) is 2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide is CCCN(CCCN)CC(=O)NC(CC)CC.
What is the InChIKey of 2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide?
The InChIKey is ZTFRKSITYZAZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-4-9-16(10-7-8-14)11-13(17)15-12(5-2)6-3/h12H,4-11,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide?
2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide has a molecular weight of 243.39 g/mol, XLogP of 1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide is sourced from PubChem (CID 54957057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).