3-[methyl(prop-2-ynyl)amino]propanamide

C7H12N2O — CID 131086259

IUPAC3-[methyl(prop-2-ynyl)amino]propanamide
SMILESC#CCN(C)CCC(N)=O
InChIInChI=1S/C7H12N2O/c1-3-5-9(2)6-4-7(8)10/h1H,4-6H2,2H3,(H2,8,10)
InChIKeyAXELHNFPFIACED-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.57
Rot. Bonds4

About 3-[methyl(prop-2-ynyl)amino]propanamide

3-[methyl(prop-2-ynyl)amino]propanamide (PubChem CID 131086259) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-[methyl(prop-2-ynyl)amino]propanamide.

Molecular Properties

Compound Name3-[methyl(prop-2-ynyl)amino]propanamide
PubChem CID131086259
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-[methyl(prop-2-ynyl)amino]propanamide
SMILESC#CCN(C)CCC(N)=O
InChIInChI=1S/C7H12N2O/c1-3-5-9(2)6-4-7(8)10/h1H,4-6H2,2H3,(H2,8,10)
InChIKeyAXELHNFPFIACED-UHFFFAOYSA-N
XLogP-0.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane)
CID 145273853
2-[methyl(pent-4-ynyl)amino]acetamide
CID 115872776
aminomethyl 2-[methyl(prop-2-ynyl)amino]acetate
CID 156724598
3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 55028667
1-[2-[methyl(prop-2-ynyl)amino]ethyl]cyclopropan-1-ol
CID 131222866
N-methyl-N-prop-2-ynylhexan-1-amine
CID 21191548
N-methyl-N-prop-2-ynylundecan-1-amine
CID 54051850
3-(prop-2-ynylamino)propanamide
CID 43090029
4-oxohept-6-ynamide
CID 158101819
1-butyl-1-prop-2-ynylurea
CID 54279536
3-[cyclopentylmethyl(methyl)amino]propanamide
CID 62059581
3-[bis[3-(dimethylamino)propyl]amino]propanamide
CID 3097429

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(prop-2-ynyl)amino]propanamide?
The IUPAC name of 3-[methyl(prop-2-ynyl)amino]propanamide (CID 131086259) is 3-[methyl(prop-2-ynyl)amino]propanamide.
What is the SMILES notation for 3-[methyl(prop-2-ynyl)amino]propanamide?
The canonical SMILES for 3-[methyl(prop-2-ynyl)amino]propanamide is C#CCN(C)CCC(N)=O.
What is the InChIKey of 3-[methyl(prop-2-ynyl)amino]propanamide?
The InChIKey is AXELHNFPFIACED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-5-9(2)6-4-7(8)10/h1H,4-6H2,2H3,(H2,8,10).
What are the key properties of 3-[methyl(prop-2-ynyl)amino]propanamide?
3-[methyl(prop-2-ynyl)amino]propanamide has a molecular weight of 140.19 g/mol, XLogP of -0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(prop-2-ynyl)amino]propanamide is sourced from PubChem (CID 131086259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).