chloromethane;(E)-3-(dimethylamino)-2-methylhex-2-enamide

C10H21ClN2O — CID 146307442

IUPACchloromethane;(E)-3-(dimethylamino)-2-methylhex-2-enamide
SMILESCCC/C(=C(/C)C(N)=O)N(C)C.CCl
InChIInChI=1S/C9H18N2O.CH3Cl/c1-5-6-8(11(3)4)7(2)9(10)12;1-2/h5-6H2,1-4H3,(H2,10,12);1H3/b8-7+;
InChIKeyDBXKDISYXJSWIU-USRGLUTNSA-N
MW220.74 g/mol
LogP1.96
Rot. Bonds4

About chloromethane;(E)-3-(dimethylamino)-2-methylhex-2-enamide

chloromethane;(E)-3-(dimethylamino)-2-methylhex-2-enamide (PubChem CID 146307442) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is chloromethane;(E)-3-(dimethylamino)-2-methylhex-2-enamide.

Molecular Properties

Compound Namechloromethane;(E)-3-(dimethylamino)-2-methylhex-2-enamide
PubChem CID146307442
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Namechloromethane;(E)-3-(dimethylamino)-2-methylhex-2-enamide
SMILESCCC/C(=C(/C)C(N)=O)N(C)C.CCl
InChIInChI=1S/C9H18N2O.CH3Cl/c1-5-6-8(11(3)4)7(2)9(10)12;1-2/h5-6H2,1-4H3,(H2,10,12);1H3/b8-7+;
InChIKeyDBXKDISYXJSWIU-USRGLUTNSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[(dimethylamino)methyl]-2-methylhex-2-enamide
CID 140739984
3-(dimethylamino)-2-methylbut-2-enamide
CID 140503837
(E)-3-(dimethylamino)-2-methyltridec-2-enoic acid
CID 87206678
3-(dimethylamino)-2-methylnonadec-2-enoic acid
CID 154482732
butanamide
CID 141414886
N,N-dimethylbutanamide;hydrochloride
CID 87498306
3-(dimethylamino)-2-methylpent-2-enoic acid
CID 57208112
(2Z)-2-[dimethylamino(propylamino)methylidene]pentanamide
CID 142670884
azane;3-[3-(dimethylamino)propyl]-2-methylpentadec-2-enamide;hydrochloride
CID 175945005
butanamide;dihydrobromide
CID 140988378
CID 158833027
CID 158833027
butanamide;dichlorozirconium
CID 175565621

Frequently Asked Questions

What is the IUPAC name of chloromethane;(E)-3-(dimethylamino)-2-methylhex-2-enamide?
The IUPAC name of chloromethane;(E)-3-(dimethylamino)-2-methylhex-2-enamide (CID 146307442) is chloromethane;(E)-3-(dimethylamino)-2-methylhex-2-enamide.
What is the SMILES notation for chloromethane;(E)-3-(dimethylamino)-2-methylhex-2-enamide?
The canonical SMILES for chloromethane;(E)-3-(dimethylamino)-2-methylhex-2-enamide is CCC/C(=C(/C)C(N)=O)N(C)C.CCl.
What is the InChIKey of chloromethane;(E)-3-(dimethylamino)-2-methylhex-2-enamide?
The InChIKey is DBXKDISYXJSWIU-USRGLUTNSA-N. The full InChI is InChI=1S/C9H18N2O.CH3Cl/c1-5-6-8(11(3)4)7(2)9(10)12;1-2/h5-6H2,1-4H3,(H2,10,12);1H3/b8-7+;.
What are the key properties of chloromethane;(E)-3-(dimethylamino)-2-methylhex-2-enamide?
chloromethane;(E)-3-(dimethylamino)-2-methylhex-2-enamide has a molecular weight of 220.74 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;(E)-3-(dimethylamino)-2-methylhex-2-enamide is sourced from PubChem (CID 146307442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).