N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride

C9H21ClN2O — CID 173003472

IUPACN,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
SMILESC=CC(=O)NCCC.CN(C)C.Cl
InChIInChI=1S/C6H11NO.C3H9N.ClH/c1-3-5-7-6(8)4-2;1-4(2)3;/h4H,2-3,5H2,1H3,(H,7,8);1-3H3;1H
InChIKeyCLQAIPMPVHYANA-UHFFFAOYSA-N
MW208.73 g/mol
LogP1.30
Rot. Bonds3

About N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride

N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride (PubChem CID 173003472) has the molecular formula C9H21ClN2O and a molecular weight of 208.73 g/mol. Its IUPAC name is N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
PubChem CID173003472
Molecular FormulaC9H21ClN2O
Molecular Weight208.73 g/mol
Exact Mass208.13
IUPAC NameN,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
SMILESC=CC(=O)NCCC.CN(C)C.Cl
InChIInChI=1S/C6H11NO.C3H9N.ClH/c1-3-5-7-6(8)4-2;1-4(2)3;/h4H,2-3,5H2,1H3,(H,7,8);1-3H3;1H
InChIKeyCLQAIPMPVHYANA-UHFFFAOYSA-N
XLogP1.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 51.30
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

molecular hydrogen;N-propylprop-2-enamide
CID 153372503
N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride
CID 173056449
N-butylbutan-1-amine;N-propylprop-2-enamide
CID 22596638
bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide
CID 173363962
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-[4-(propylamino)butyl]prop-2-enamide
CID 87503940
N-heptadecylprop-2-enamide
CID 20727742
N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane
CID 144591761
chloromethylidene(dimethyl)azanium;propan-1-amine;prop-2-enoic acid;bis(N-propylprop-2-enamide);hydrochloride
CID 159912304
N,N-dimethyl-3-(prop-2-enoylamino)propanamide
CID 19971020
N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen
CID 176682975
N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide
CID 129275452

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride?
The IUPAC name of N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride (CID 173003472) is N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride.
What is the SMILES notation for N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride?
The canonical SMILES for N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride is C=CC(=O)NCCC.CN(C)C.Cl.
What is the InChIKey of N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride?
The InChIKey is CLQAIPMPVHYANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C3H9N.ClH/c1-3-5-7-6(8)4-2;1-4(2)3;/h4H,2-3,5H2,1H3,(H,7,8);1-3H3;1H.
What are the key properties of N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride?
N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride has a molecular weight of 208.73 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride is sourced from PubChem (CID 173003472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).