3-[3-aminopropyl(propyl)amino]-N-cyclopropylpropanamide

C12H25N3O — CID 62628089

IUPAC3-[3-aminopropyl(propyl)amino]-N-cyclopropylpropanamide
SMILESCCCN(CCCN)CCC(=O)NC1CC1
InChIInChI=1S/C12H25N3O/c1-2-8-15(9-3-7-13)10-6-12(16)14-11-4-5-11/h11H,2-10,13H2,1H3,(H,14,16)
InChIKeyLBZCJMRLJPBMCR-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.72
Rot. Bonds9

About 3-[3-aminopropyl(propyl)amino]-N-cyclopropylpropanamide

3-[3-aminopropyl(propyl)amino]-N-cyclopropylpropanamide (PubChem CID 62628089) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[3-aminopropyl(propyl)amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[3-aminopropyl(propyl)amino]-N-cyclopropylpropanamide
PubChem CID62628089
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[3-aminopropyl(propyl)amino]-N-cyclopropylpropanamide
SMILESCCCN(CCCN)CCC(=O)NC1CC1
InChIInChI=1S/C12H25N3O/c1-2-8-15(9-3-7-13)10-6-12(16)14-11-4-5-11/h11H,2-10,13H2,1H3,(H,14,16)
InChIKeyLBZCJMRLJPBMCR-UHFFFAOYSA-N
XLogP0.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-aminopropyl(2-methoxyethyl)amino]-N-cyclopropylpropanamide
CID 63287623
N-cyclohexyl-3-(dipropylamino)propanamide
CID 109014002
3-[2-aminoethyl(ethyl)amino]-N-cyclopropylpropanamide
CID 62626817
3-[butyl(2-hydroxyethyl)amino]-N-cyclohexylpropanamide
CID 62016596
2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid
CID 62627778
3-[4-aminobutan-2-yl(methyl)amino]-N-cyclopropylpropanamide
CID 63225816
4-(dipropylamino)-N-(2-methylpiperidin-4-yl)butanamide;dihydrochloride
CID 120602359
2-[2-aminoethyl(ethyl)amino]-N-cyclopropylacetamide
CID 61349324
N-cyclopropyl-3-[3-(diethylamino)propylamino]propanamide
CID 55098346
1-(3-aminopropyl)-3-cyclobutyl-1-propylurea
CID 116658088
N-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride
CID 119602223
2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide
CID 63099178

Frequently Asked Questions

What is the IUPAC name of 3-[3-aminopropyl(propyl)amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[3-aminopropyl(propyl)amino]-N-cyclopropylpropanamide (CID 62628089) is 3-[3-aminopropyl(propyl)amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[3-aminopropyl(propyl)amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[3-aminopropyl(propyl)amino]-N-cyclopropylpropanamide is CCCN(CCCN)CCC(=O)NC1CC1.
What is the InChIKey of 3-[3-aminopropyl(propyl)amino]-N-cyclopropylpropanamide?
The InChIKey is LBZCJMRLJPBMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-2-8-15(9-3-7-13)10-6-12(16)14-11-4-5-11/h11H,2-10,13H2,1H3,(H,14,16).
What are the key properties of 3-[3-aminopropyl(propyl)amino]-N-cyclopropylpropanamide?
3-[3-aminopropyl(propyl)amino]-N-cyclopropylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 0.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-aminopropyl(propyl)amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 62628089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).