N-(3-aminopropyl)propanamide

C6H14N2O — CID 21290277

IUPACN-(3-aminopropyl)propanamide
SMILESCCC(=O)NCCCN
InChIInChI=1S/C6H14N2O/c1-2-6(9)8-5-3-4-7/h2-5,7H2,1H3,(H,8,9)
InChIKeyVWSZFEXMQSJLRA-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.14
Rot. Bonds4

About N-(3-aminopropyl)propanamide

N-(3-aminopropyl)propanamide (PubChem CID 21290277) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is N-(3-aminopropyl)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)propanamide
PubChem CID21290277
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameN-(3-aminopropyl)propanamide
SMILESCCC(=O)NCCCN
InChIInChI=1S/C6H14N2O/c1-2-6(9)8-5-3-4-7/h2-5,7H2,1H3,(H,8,9)
InChIKeyVWSZFEXMQSJLRA-UHFFFAOYSA-N
XLogP-0.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
N-[3-[3-aminopropyl(methyl)amino]propyl]propanamide
CID 59112854
N'-(3-aminopropyl)-N-propylbutanediamide
CID 119407981
N-(3-aminopropyl)-5-oxoheptanamide
CID 91122270
N-(3-aminopropyl)-2-sulfanylacetamide;ethane
CID 143545848
11-(propanoylamino)undecanamide
CID 89244012
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
N-[7-[(2-chloroacetyl)amino]heptyl]propanamide
CID 163838006
ethane;N-undecylpropanamide
CID 155706114
N-[2-(carbamoylamino)ethyl]propanamide
CID 78993883
N-(3-aminopropyl)-2-(diethylsulfamoyl)acetamide
CID 119409036
N-(3-hydroperoxypropyl)propanamide
CID 59935072

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)propanamide?
The IUPAC name of N-(3-aminopropyl)propanamide (CID 21290277) is N-(3-aminopropyl)propanamide.
What is the SMILES notation for N-(3-aminopropyl)propanamide?
The canonical SMILES for N-(3-aminopropyl)propanamide is CCC(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)propanamide?
The InChIKey is VWSZFEXMQSJLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-2-6(9)8-5-3-4-7/h2-5,7H2,1H3,(H,8,9).
What are the key properties of N-(3-aminopropyl)propanamide?
N-(3-aminopropyl)propanamide has a molecular weight of 130.19 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)propanamide is sourced from PubChem (CID 21290277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).