N,N-dimethyl-2-(propylamino)but-2-enamide

C9H18N2O — CID 122506064

IUPACN,N-dimethyl-2-(propylamino)but-2-enamide
SMILESCC=C(NCCC)C(=O)N(C)C
InChIInChI=1S/C9H18N2O/c1-5-7-10-8(6-2)9(12)11(3)4/h6,10H,5,7H2,1-4H3
InChIKeyGATLHFBSSNERRL-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.98
Rot. Bonds4

About N,N-dimethyl-2-(propylamino)but-2-enamide

N,N-dimethyl-2-(propylamino)but-2-enamide (PubChem CID 122506064) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N,N-dimethyl-2-(propylamino)but-2-enamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(propylamino)but-2-enamide
PubChem CID122506064
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN,N-dimethyl-2-(propylamino)but-2-enamide
SMILESCC=C(NCCC)C(=O)N(C)C
InChIInChI=1S/C9H18N2O/c1-5-7-10-8(6-2)9(12)11(3)4/h6,10H,5,7H2,1-4H3
InChIKeyGATLHFBSSNERRL-UHFFFAOYSA-N
XLogP0.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
CID 173003472
1-methyl-3-propyl-1-sulfanylurea
CID 56993771
2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 43238259
(E)-2-ethyl-N,N-dimethylbut-2-enamide
CID 143612571
1-propan-2-yl-1-prop-2-enyl-3-propylurea
CID 115585837
ethane;prop-1-ene;propylurea
CID 142245891
ethane;propylcarbamic acid
CID 155733503
N,N'-dipropyldecanediamide
CID 102239298
(2Z)-2-[dimethylamino(propylamino)methylidene]pentanamide
CID 142670884
2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-propylpropanamide
CID 60677309
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
1-methyl-1-methylsulfonyl-3-propylurea
CID 173463477

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(propylamino)but-2-enamide?
The IUPAC name of N,N-dimethyl-2-(propylamino)but-2-enamide (CID 122506064) is N,N-dimethyl-2-(propylamino)but-2-enamide.
What is the SMILES notation for N,N-dimethyl-2-(propylamino)but-2-enamide?
The canonical SMILES for N,N-dimethyl-2-(propylamino)but-2-enamide is CC=C(NCCC)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(propylamino)but-2-enamide?
The InChIKey is GATLHFBSSNERRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-7-10-8(6-2)9(12)11(3)4/h6,10H,5,7H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(propylamino)but-2-enamide?
N,N-dimethyl-2-(propylamino)but-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(propylamino)but-2-enamide is sourced from PubChem (CID 122506064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).