N-[2-(dimethylamino)propyl]but-2-ynamide

C9H16N2O — CID 130725758

IUPACN-[2-(dimethylamino)propyl]but-2-ynamide
SMILESCC#CC(=O)NCC(C)N(C)C
InChIInChI=1S/C9H16N2O/c1-5-6-9(12)10-7-8(2)11(3)4/h8H,7H2,1-4H3,(H,10,12)
InChIKeyWBDRURWMZRQLCD-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.08
Rot. Bonds3

About N-[2-(dimethylamino)propyl]but-2-ynamide

N-[2-(dimethylamino)propyl]but-2-ynamide (PubChem CID 130725758) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]but-2-ynamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]but-2-ynamide
PubChem CID130725758
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[2-(dimethylamino)propyl]but-2-ynamide
SMILESCC#CC(=O)NCC(C)N(C)C
InChIInChI=1S/C9H16N2O/c1-5-6-9(12)10-7-8(2)11(3)4/h8H,7H2,1-4H3,(H,10,12)
InChIKeyWBDRURWMZRQLCD-UHFFFAOYSA-N
XLogP0.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.08
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

2-bromo-N-[2-(dimethylamino)propyl]acetamide
CID 63679918
N-[2-(2-hydroxypropylamino)ethyl]but-2-ynamide
CID 107990806
5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid
CID 62966305
N-(3-cyanopropyl)but-2-ynamide
CID 130918641
N-[2-(dimethylamino)propyl]piperidine-1-carboxamide
CID 115581577
2-amino-N-[2-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 114995868
N-(2-hydroxybutyl)-3-iodoprop-2-ynamide
CID 139991382
N-[2-(carbamoylamino)ethyl]but-2-ynamide
CID 130637362
N-pent-3-ynylbut-2-ynamide
CID 107992893
3-(but-2-ynoylamino)propanoic acid
CID 107986385
3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide
CID 54912956
1-(aminomethyl)-N-[2-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 80587365

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)propyl]but-2-ynamide?
The IUPAC name of N-[2-(dimethylamino)propyl]but-2-ynamide (CID 130725758) is N-[2-(dimethylamino)propyl]but-2-ynamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]but-2-ynamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]but-2-ynamide is CC#CC(=O)NCC(C)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)propyl]but-2-ynamide?
The InChIKey is WBDRURWMZRQLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-5-6-9(12)10-7-8(2)11(3)4/h8H,7H2,1-4H3,(H,10,12).
What are the key properties of N-[2-(dimethylamino)propyl]but-2-ynamide?
N-[2-(dimethylamino)propyl]but-2-ynamide has a molecular weight of 168.24 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)propyl]but-2-ynamide is sourced from PubChem (CID 130725758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).