ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide

C9H20N2O — CID 145071357

IUPACethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCNC.CC
InChIInChI=1S/C7H14N2O.C2H6/c1-6(2)7(10)9-5-4-8-3;1-2/h8H,1,4-5H2,2-3H3,(H,9,10);1-2H3
InChIKeyBTPVIFAWHWSMTG-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.92
Rot. Bonds4

About ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide

ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide (PubChem CID 145071357) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Nameethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide
PubChem CID145071357
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCNC.CC
InChIInChI=1S/C7H14N2O.C2H6/c1-6(2)7(10)9-5-4-8-3;1-2/h8H,1,4-5H2,2-3H3,(H,9,10);1-2H3
InChIKeyBTPVIFAWHWSMTG-UHFFFAOYSA-N
XLogP0.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-2-methylprop-2-enamide
CID 86134938
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
N-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide
CID 87508731
10-(2-methylprop-2-enoylamino)decylphosphonic acid
CID 18935053
11-(2-methylprop-2-enoylamino)undecylphosphonic acid
CID 102486312
N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide
CID 87191392
2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide
CID 166886440
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 75480326
N-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide
CID 123448729
N-icosyl-2-methylprop-2-enamide
CID 22336363

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide?
The IUPAC name of ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide (CID 145071357) is ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide.
What is the SMILES notation for ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide?
The canonical SMILES for ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide is C=C(C)C(=O)NCCNC.CC.
What is the InChIKey of ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide?
The InChIKey is BTPVIFAWHWSMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C2H6/c1-6(2)7(10)9-5-4-8-3;1-2/h8H,1,4-5H2,2-3H3,(H,9,10);1-2H3.
What are the key properties of ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide?
ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide has a molecular weight of 172.27 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 145071357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).