N-methyl-N-[2-(methylamino)hexyl]prop-2-enamide

C11H22N2O — CID 166807925

IUPACN-methyl-N-[2-(methylamino)hexyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(CCCC)NC
InChIInChI=1S/C11H22N2O/c1-5-7-8-10(12-3)9-13(4)11(14)6-2/h6,10,12H,2,5,7-9H2,1,3-4H3
InChIKeySFUQIDBDMPNEHR-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.41
Rot. Bonds7

About N-methyl-N-[2-(methylamino)hexyl]prop-2-enamide

N-methyl-N-[2-(methylamino)hexyl]prop-2-enamide (PubChem CID 166807925) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)hexyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)hexyl]prop-2-enamide
PubChem CID166807925
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-methyl-N-[2-(methylamino)hexyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(CCCC)NC
InChIInChI=1S/C11H22N2O/c1-5-7-8-10(12-3)9-13(4)11(14)6-2/h6,10,12H,2,5,7-9H2,1,3-4H3
InChIKeySFUQIDBDMPNEHR-UHFFFAOYSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.41
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-(2-ethylhexyl)-N-methylprop-2-enamide
CID 150337538
N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide
CID 106915065
N-(2-aminopropyl)-N-methylprop-2-enamide
CID 130563514
N-tridecan-5-ylprop-2-enamide
CID 141277245
3-(methylamino)heptanamide
CID 65236742
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
2-(nonan-5-ylamino)ethyl prop-2-enoate
CID 175488339
N'-butyl-N-methylprop-2-enehydrazide
CID 87504595
N-methyl-N-[2,4,4-trimethyl-6-(methylamino)hexyl]prop-2-enamide
CID 142235981
3-(methylamino)heptan-1-ol
CID 13033821
2-ethylhexyl 4-[methyl(prop-2-enoyl)amino]butanoate
CID 134486280
N-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide
CID 171093206

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)hexyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[2-(methylamino)hexyl]prop-2-enamide (CID 166807925) is N-methyl-N-[2-(methylamino)hexyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)hexyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)hexyl]prop-2-enamide is C=CC(=O)N(C)CC(CCCC)NC.
What is the InChIKey of N-methyl-N-[2-(methylamino)hexyl]prop-2-enamide?
The InChIKey is SFUQIDBDMPNEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-7-8-10(12-3)9-13(4)11(14)6-2/h6,10,12H,2,5,7-9H2,1,3-4H3.
What are the key properties of N-methyl-N-[2-(methylamino)hexyl]prop-2-enamide?
N-methyl-N-[2-(methylamino)hexyl]prop-2-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)hexyl]prop-2-enamide is sourced from PubChem (CID 166807925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).