chloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium

C10H22ClN2O+ — CID 174765196

IUPACchloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium
SMILESC=CC(=O)NC[N+](C)(C)CCC.CCl
InChIInChI=1S/C9H18N2O.CH3Cl/c1-5-7-11(3,4)8-10-9(12)6-2;1-2/h6H,2,5,7-8H2,1,3-4H3;1H3/p+1
InChIKeyHJNBHCQYHASARU-UHFFFAOYSA-O
MW221.75 g/mol
LogP1.59
Rot. Bonds5

About chloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium

chloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium (PubChem CID 174765196) has the molecular formula C10H22ClN2O+ and a molecular weight of 221.75 g/mol. Its IUPAC name is chloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium.

Molecular Properties

Compound Namechloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium
PubChem CID174765196
Molecular FormulaC10H22ClN2O+
Molecular Weight221.75 g/mol
Exact Mass221.14
IUPAC Namechloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium
SMILESC=CC(=O)NC[N+](C)(C)CCC.CCl
InChIInChI=1S/C9H18N2O.CH3Cl/c1-5-7-11(3,4)8-10-9(12)6-2;1-2/h6H,2,5,7-8H2,1,3-4H3;1H3/p+1
InChIKeyHJNBHCQYHASARU-UHFFFAOYSA-O
XLogP1.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.75
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

triethyl-[(prop-2-enoylamino)methyl]azanium
CID 87449059
methane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride
CID 161490642
dimethyl-(prop-2-enoylamino)-propylazanium
CID 54001668
triethyl-[(prop-2-enoylamino)methyl]azanium chloride
CID 87449058
dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium bromide
CID 87673706
(2-prop-2-enoylhydrazinyl)methyl-tripropylazanium
CID 151071649
molecular hydrogen;N-propylprop-2-enamide
CID 153372503
methyl-[2-(prop-2-enoylamino)ethyl]-[3-[2-(prop-2-enoylamino)ethylamino]propyl]-propylazanium
CID 123889341
N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553
N-butylprop-2-enamide;hydrofluoride
CID 174533496
dimethyl-(oxiran-2-ylmethyl)-propylazanium;N-methylprop-2-enamide;chloride
CID 160635037
bis(ethyl-dimethyl-[3-(prop-2-enoylamino)propyl]azanium);sulfate
CID 141071800

Frequently Asked Questions

What is the IUPAC name of chloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium?
The IUPAC name of chloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium (CID 174765196) is chloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium.
What is the SMILES notation for chloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium?
The canonical SMILES for chloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium is C=CC(=O)NC[N+](C)(C)CCC.CCl.
What is the InChIKey of chloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium?
The InChIKey is HJNBHCQYHASARU-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H18N2O.CH3Cl/c1-5-7-11(3,4)8-10-9(12)6-2;1-2/h6H,2,5,7-8H2,1,3-4H3;1H3/p+1.
What are the key properties of chloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium?
chloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium has a molecular weight of 221.75 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium is sourced from PubChem (CID 174765196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).