3-amino-N-[3-(dimethylamino)propyl]propanamide

C8H19N3O — CID 16785273

IUPAC3-amino-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCN
InChIInChI=1S/C8H19N3O/c1-11(2)7-3-6-10-8(12)4-5-9/h3-7,9H2,1-2H3,(H,10,12)
InChIKeyCKBSAZMXMFCAGN-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.60
Rot. Bonds6

About 3-amino-N-[3-(dimethylamino)propyl]propanamide

3-amino-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 16785273) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)propyl]propanamide
PubChem CID16785273
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name3-amino-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCN
InChIInChI=1S/C8H19N3O/c1-11(2)7-3-6-10-8(12)4-5-9/h3-7,9H2,1-2H3,(H,10,12)
InChIKeyCKBSAZMXMFCAGN-UHFFFAOYSA-N
XLogP-0.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)propyl]propanamide (CID 16785273) is 3-amino-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)propyl]propanamide is CN(C)CCCNC(=O)CCN.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is CKBSAZMXMFCAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-11(2)7-3-6-10-8(12)4-5-9/h3-7,9H2,1-2H3,(H,10,12).
What are the key properties of 3-amino-N-[3-(dimethylamino)propyl]propanamide?
3-amino-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 173.26 g/mol, XLogP of -0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 16785273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).