2-[3-aminopropyl(propyl)amino]-N-carbamoylacetamide

C9H20N4O2 — CID 43137300

IUPAC2-[3-aminopropyl(propyl)amino]-N-carbamoylacetamide
SMILESCCCN(CCCN)CC(=O)NC(N)=O
InChIInChI=1S/C9H20N4O2/c1-2-5-13(6-3-4-10)7-8(14)12-9(11)15/h2-7,10H2,1H3,(H3,11,12,14,15)
InChIKeyABEIVLFFHVTDRV-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.76
Rot. Bonds7

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

2-[3-aminopropyl(propyl)amino]-N-carbamoylacetamide (PubChem CID 43137300) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[3-aminopropyl(propyl)amino]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[3-aminopropyl(propyl)amino]-N-carbamoylacetamide
PubChem CID43137300
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name2-[3-aminopropyl(propyl)amino]-N-carbamoylacetamide
SMILESCCCN(CCCN)CC(=O)NC(N)=O
InChIInChI=1S/C9H20N4O2/c1-2-5-13(6-3-4-10)7-8(14)12-9(11)15/h2-7,10H2,1H3,(H3,11,12,14,15)
InChIKeyABEIVLFFHVTDRV-UHFFFAOYSA-N
XLogP-0.76
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide
CID 54957057
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide
CID 107366810
2-[3-aminopropyl(propyl)amino]-N,N-dimethylacetamide
CID 43137311
2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone
CID 43137313
2-[(4-aminophenyl)methyl-propylamino]-N-carbamoylacetamide
CID 43459558
2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492715
N'-ethyl-N'-propylpropane-1,3-diamine
CID 43137206
2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide
CID 61490080
2-[2-aminoethyl(pentan-3-yl)amino]-N-carbamoylacetamide
CID 63761726
2-(dipropylamino)-N-sulfanylacetamide
CID 160894543
3-[3-aminopropyl(propyl)amino]-N-cyclopropylpropanamide
CID 62628089

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(propyl)amino]-N-carbamoylacetamide?
The IUPAC name of 2-[3-aminopropyl(propyl)amino]-N-carbamoylacetamide (CID 43137300) is 2-[3-aminopropyl(propyl)amino]-N-carbamoylacetamide.
What is the SMILES notation for 2-[3-aminopropyl(propyl)amino]-N-carbamoylacetamide?
The canonical SMILES for 2-[3-aminopropyl(propyl)amino]-N-carbamoylacetamide is CCCN(CCCN)CC(=O)NC(N)=O.
What is the InChIKey of 2-[3-aminopropyl(propyl)amino]-N-carbamoylacetamide?
The InChIKey is ABEIVLFFHVTDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-2-5-13(6-3-4-10)7-8(14)12-9(11)15/h2-7,10H2,1H3,(H3,11,12,14,15).
What are the key properties of 2-[3-aminopropyl(propyl)amino]-N-carbamoylacetamide?
2-[3-aminopropyl(propyl)amino]-N-carbamoylacetamide has a molecular weight of 216.28 g/mol, XLogP of -0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(propyl)amino]-N-carbamoylacetamide is sourced from PubChem (CID 43137300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).