2-(methylamino)-N-pent-4-ynylpropanamide

C9H16N2O — CID 106221794

IUPAC2-(methylamino)-N-pent-4-ynylpropanamide
SMILESC#CCCCNC(=O)C(C)NC
InChIInChI=1S/C9H16N2O/c1-4-5-6-7-11-9(12)8(2)10-3/h1,8,10H,5-7H2,2-3H3,(H,11,12)
InChIKeyMCOLKYWBJNWWFF-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.12
Rot. Bonds5

About 2-(methylamino)-N-pent-4-ynylpropanamide

2-(methylamino)-N-pent-4-ynylpropanamide (PubChem CID 106221794) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(methylamino)-N-pent-4-ynylpropanamide.

Molecular Properties

Compound Name2-(methylamino)-N-pent-4-ynylpropanamide
PubChem CID106221794
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(methylamino)-N-pent-4-ynylpropanamide
SMILESC#CCCCNC(=O)C(C)NC
InChIInChI=1S/C9H16N2O/c1-4-5-6-7-11-9(12)8(2)10-3/h1,8,10H,5-7H2,2-3H3,(H,11,12)
InChIKeyMCOLKYWBJNWWFF-UHFFFAOYSA-N
XLogP0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methyl-N-pent-4-ynylpropanamide
CID 106221793
2-bromo-N-hex-5-ynylpropanamide
CID 106211130
1-[(3R)-4-methylpent-1-yn-3-yl]-3-pent-4-ynylurea
CID 100690270
2-cyclopropyl-N-pent-4-ynylpropanamide
CID 103721944
(2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide
CID 94522697
2-(pent-4-ynylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 103711244
1-butyl-3-pent-4-ynylurea
CID 103708294
1-hex-5-ynyl-3-methylurea
CID 103757181
ethyl 2-(pent-4-ynylamino)propanoate
CID 115664090
2-amino-N-hex-5-ynylbutanamide
CID 103950447
(2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide
CID 106213078
N-hex-5-ynyl-2-(propan-2-ylamino)acetamide
CID 106213054

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-pent-4-ynylpropanamide?
The IUPAC name of 2-(methylamino)-N-pent-4-ynylpropanamide (CID 106221794) is 2-(methylamino)-N-pent-4-ynylpropanamide.
What is the SMILES notation for 2-(methylamino)-N-pent-4-ynylpropanamide?
The canonical SMILES for 2-(methylamino)-N-pent-4-ynylpropanamide is C#CCCCNC(=O)C(C)NC.
What is the InChIKey of 2-(methylamino)-N-pent-4-ynylpropanamide?
The InChIKey is MCOLKYWBJNWWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-5-6-7-11-9(12)8(2)10-3/h1,8,10H,5-7H2,2-3H3,(H,11,12).
What are the key properties of 2-(methylamino)-N-pent-4-ynylpropanamide?
2-(methylamino)-N-pent-4-ynylpropanamide has a molecular weight of 168.24 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-pent-4-ynylpropanamide is sourced from PubChem (CID 106221794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).