3-(methylamino)-N-[2-(methylamino)ethyl]propanamide

C7H17N3O — CID 59688102

IUPAC3-(methylamino)-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)CCNC
InChIInChI=1S/C7H17N3O/c1-8-4-3-7(11)10-6-5-9-2/h8-9H,3-6H2,1-2H3,(H,10,11)
InChIKeyZPTJPGJULVHYSB-UHFFFAOYSA-N
MW159.23 g/mol
LogP-1.07
Rot. Bonds6

About 3-(methylamino)-N-[2-(methylamino)ethyl]propanamide

3-(methylamino)-N-[2-(methylamino)ethyl]propanamide (PubChem CID 59688102) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(methylamino)-N-[2-(methylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(methylamino)-N-[2-(methylamino)ethyl]propanamide
PubChem CID59688102
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name3-(methylamino)-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)CCNC
InChIInChI=1S/C7H17N3O/c1-8-4-3-7(11)10-6-5-9-2/h8-9H,3-6H2,1-2H3,(H,10,11)
InChIKeyZPTJPGJULVHYSB-UHFFFAOYSA-N
XLogP-1.07
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide
CID 145117047
dimethyl-[2-[3-(methylamino)propanoylamino]ethyl]azanium
CID 142404926
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide
CID 123850172
N-(2-ethylsulfanylethyl)-3-(methylamino)propanamide
CID 146646964
1-methyl-3-[2-(methylamino)ethyl]urea
CID 22381232
3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
CID 177357974
N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide
CID 59766021
5-methyl-N-[2-(methylamino)ethyl]-4-oxohept-5-enamide
CID 177044189
(2S)-2-amino-4-[3-(methylamino)propanoylamino]butanoic acid
CID 87358924
3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide
CID 115519420
3-(methylamino)propanehydrazide
CID 59203678

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[2-(methylamino)ethyl]propanamide?
The IUPAC name of 3-(methylamino)-N-[2-(methylamino)ethyl]propanamide (CID 59688102) is 3-(methylamino)-N-[2-(methylamino)ethyl]propanamide.
What is the SMILES notation for 3-(methylamino)-N-[2-(methylamino)ethyl]propanamide?
The canonical SMILES for 3-(methylamino)-N-[2-(methylamino)ethyl]propanamide is CNCCNC(=O)CCNC.
What is the InChIKey of 3-(methylamino)-N-[2-(methylamino)ethyl]propanamide?
The InChIKey is ZPTJPGJULVHYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-8-4-3-7(11)10-6-5-9-2/h8-9H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 3-(methylamino)-N-[2-(methylamino)ethyl]propanamide?
3-(methylamino)-N-[2-(methylamino)ethyl]propanamide has a molecular weight of 159.23 g/mol, XLogP of -1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[2-(methylamino)ethyl]propanamide is sourced from PubChem (CID 59688102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).