N-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide

C14H25NO — CID 171093206

IUPACN-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(/C=C/C(C)(C)C)CC
InChIInChI=1S/C14H25NO/c1-7-12(9-10-14(3,4)5)11-15(6)13(16)8-2/h8-10,12H,2,7,11H2,1,3-6H3/b10-9+
InChIKeyIHEIYDZNMQOOSD-MDZDMXLPSA-N
MW223.36 g/mol
LogP3.26
Rot. Bonds5

About N-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide

N-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide (PubChem CID 171093206) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide
PubChem CID171093206
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(/C=C/C(C)(C)C)CC
InChIInChI=1S/C14H25NO/c1-7-12(9-10-14(3,4)5)11-15(6)13(16)8-2/h8-10,12H,2,7,11H2,1,3-6H3/b10-9+
InChIKeyIHEIYDZNMQOOSD-MDZDMXLPSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-aminopropyl)-N-methylprop-2-enamide
CID 130563514
N-methyl-N-[2-(methylamino)hexyl]prop-2-enamide
CID 166807925
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide
CID 158816365
N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide
CID 106915065
azane;1-[methyl(prop-2-enoyl)amino]propane-2-sulfonic acid
CID 87438515
N-methyl-N-(sulfanylmethyl)prop-2-enamide
CID 170148935
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
N-methyl-N-[2,4,4-trimethyl-6-(methylamino)hexyl]prop-2-enamide
CID 142235981
N-(2-formylbutyl)-N-methylacetamide
CID 12688089
N-(5-amino-5-methylhexan-3-yl)-N-methylprop-2-enamide;hydrochloride
CID 173423557
N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide
CID 87731814

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide?
The IUPAC name of N-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide (CID 171093206) is N-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CC(/C=C/C(C)(C)C)CC.
What is the InChIKey of N-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide?
The InChIKey is IHEIYDZNMQOOSD-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H25NO/c1-7-12(9-10-14(3,4)5)11-15(6)13(16)8-2/h8-10,12H,2,7,11H2,1,3-6H3/b10-9+.
What are the key properties of N-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide?
N-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide has a molecular weight of 223.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide is sourced from PubChem (CID 171093206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).