N-[3-(methylamino)propyl]-N-propylacetamide

C9H20N2O — CID 130231961

IUPACN-[3-(methylamino)propyl]-N-propylacetamide
SMILESCCCN(CCCNC)C(C)=O
InChIInChI=1S/C9H20N2O/c1-4-7-11(9(2)12)8-5-6-10-3/h10H,4-8H2,1-3H3
InChIKeyMOFFTTJKPMFUAE-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.85
Rot. Bonds6

About N-[3-(methylamino)propyl]-N-propylacetamide

N-[3-(methylamino)propyl]-N-propylacetamide (PubChem CID 130231961) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-N-propylacetamide
PubChem CID130231961
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[3-(methylamino)propyl]-N-propylacetamide
SMILESCCCN(CCCNC)C(C)=O
InChIInChI=1S/C9H20N2O/c1-4-7-11(9(2)12)8-5-6-10-3/h10H,4-8H2,1-3H3
InChIKeyMOFFTTJKPMFUAE-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-N-[2-(propylamino)ethyl]acetamide
CID 118586484
N-methyl-N-[3-(methylamino)propyl]acetamide
CID 23084468
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(icosyl)acetamide
CID 57063838
N,N-di(pentadecyl)acetamide
CID 174726671
N-(2-bromoethyl)-N-propylacetamide
CID 80660131
N-butyl-N-heptylacetamide
CID 91713167
tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate
CID 122608338
3-[acetyl(propyl)amino]-N,N-dipropylpropanamide
CID 113114998
N-(2-oxopropyl)-N-propylacetamide
CID 88778030
N-ethyl-N-propylacetamide;methane;propane
CID 161155898
3-[acetyl(butyl)amino]-N-propylpropanamide
CID 113115710

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-N-propylacetamide?
The IUPAC name of N-[3-(methylamino)propyl]-N-propylacetamide (CID 130231961) is N-[3-(methylamino)propyl]-N-propylacetamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-N-propylacetamide?
The canonical SMILES for N-[3-(methylamino)propyl]-N-propylacetamide is CCCN(CCCNC)C(C)=O.
What is the InChIKey of N-[3-(methylamino)propyl]-N-propylacetamide?
The InChIKey is MOFFTTJKPMFUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-7-11(9(2)12)8-5-6-10-3/h10H,4-8H2,1-3H3.
What are the key properties of N-[3-(methylamino)propyl]-N-propylacetamide?
N-[3-(methylamino)propyl]-N-propylacetamide has a molecular weight of 172.27 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-N-propylacetamide is sourced from PubChem (CID 130231961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).