N-[3-(dimethylamino)propyl]prop-2-ynamide

C8H14N2O — CID 126549211

IUPACN-[3-(dimethylamino)propyl]prop-2-ynamide
SMILESC#CC(=O)NCCCN(C)C
InChIInChI=1S/C8H14N2O/c1-4-8(11)9-6-5-7-10(2)3/h1H,5-7H2,2-3H3,(H,9,11)
InChIKeyPYIHRAGKKNOLKI-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.31
Rot. Bonds4

About N-[3-(dimethylamino)propyl]prop-2-ynamide

N-[3-(dimethylamino)propyl]prop-2-ynamide (PubChem CID 126549211) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]prop-2-ynamide
PubChem CID126549211
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-[3-(dimethylamino)propyl]prop-2-ynamide
SMILESC#CC(=O)NCCCN(C)C
InChIInChI=1S/C8H14N2O/c1-4-8(11)9-6-5-7-10(2)3/h1H,5-7H2,2-3H3,(H,9,11)
InChIKeyPYIHRAGKKNOLKI-UHFFFAOYSA-N
XLogP-0.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
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

1-[3-(dimethylamino)propyl]-3-prop-2-ynylurea
CID 129322553
N-(3-sulfanylpropyl)prop-2-ynamide
CID 170149146
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
N-(2-acetamidoethyl)prop-2-ynamide
CID 130886003
N'-[3-(dimethylamino)propyl]-N-ethyloxamide
CID 45000040
1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea
CID 19885771
N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide
CID 103600605
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide
CID 162373354
N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide
CID 4207479
1-[3-(dimethylamino)propyl]-3-pentylurea
CID 108988347
N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 108513916

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]prop-2-ynamide?
The IUPAC name of N-[3-(dimethylamino)propyl]prop-2-ynamide (CID 126549211) is N-[3-(dimethylamino)propyl]prop-2-ynamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]prop-2-ynamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]prop-2-ynamide is C#CC(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]prop-2-ynamide?
The InChIKey is PYIHRAGKKNOLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-8(11)9-6-5-7-10(2)3/h1H,5-7H2,2-3H3,(H,9,11).
What are the key properties of N-[3-(dimethylamino)propyl]prop-2-ynamide?
N-[3-(dimethylamino)propyl]prop-2-ynamide has a molecular weight of 154.21 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]prop-2-ynamide is sourced from PubChem (CID 126549211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).