N,N-dimethyl-2-[(2E)-3-methylpenta-2,4-dienoxy]ethanamine;ethene

C12H23NO — CID 143712106

IUPACN,N-dimethyl-2-[(2E)-3-methylpenta-2,4-dienoxy]ethanamine;ethene
SMILESC=C.C=C/C(C)=C/COCCN(C)C
InChIInChI=1S/C10H19NO.C2H4/c1-5-10(2)6-8-12-9-7-11(3)4;1-2/h5-6H,1,7-9H2,2-4H3;1-2H2/b10-6+;
InChIKeyGRJLYAVLLRDMQW-AAGWESIMSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds6

About N,N-dimethyl-2-[(2E)-3-methylpenta-2,4-dienoxy]ethanamine;ethene

N,N-dimethyl-2-[(2E)-3-methylpenta-2,4-dienoxy]ethanamine;ethene (PubChem CID 143712106) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2E)-3-methylpenta-2,4-dienoxy]ethanamine;ethene.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2E)-3-methylpenta-2,4-dienoxy]ethanamine;ethene
PubChem CID143712106
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN,N-dimethyl-2-[(2E)-3-methylpenta-2,4-dienoxy]ethanamine;ethene
SMILESC=C.C=C/C(C)=C/COCCN(C)C
InChIInChI=1S/C10H19NO.C2H4/c1-5-10(2)6-8-12-9-7-11(3)4;1-2/h5-6H,1,7-9H2,2-4H3;1-2H2/b10-6+;
InChIKeyGRJLYAVLLRDMQW-AAGWESIMSA-N
XLogP2.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-[(2E)-3-methylpenta-2,4-dienoxy]ethanamine;ethene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-(3-methylbuta-1,3-dien-2-yloxy)ethanamine
CID 58330363
2-[(2Z,4Z)-hexa-2,4-dienoxy]-N,N-dimethylethanamine
CID 117986318
2-hexa-1,3,5-trien-2-yloxy-N,N-dimethylethanamine
CID 123967594
N,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine
CID 129059958
N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine
CID 129059990
2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-N-methylethanamine
CID 142607570
4-[2-[(2Z,4Z)-4-methylhepta-2,4,6-trienoxy]ethyl]morpholine
CID 142845362
2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane
CID 142981286
2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine
CID 143227719
4,5-dimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1,4-oxazine
CID 143420173
N,N-dimethyl-3-[(2Z,4Z)-2-methylhexa-2,4-dienoxy]propan-1-amine;ethane
CID 143804228
N,N-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethanamine
CID 144107502

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2E)-3-methylpenta-2,4-dienoxy]ethanamine;ethene?
The IUPAC name of N,N-dimethyl-2-[(2E)-3-methylpenta-2,4-dienoxy]ethanamine;ethene (CID 143712106) is N,N-dimethyl-2-[(2E)-3-methylpenta-2,4-dienoxy]ethanamine;ethene.
What is the SMILES notation for N,N-dimethyl-2-[(2E)-3-methylpenta-2,4-dienoxy]ethanamine;ethene?
The canonical SMILES for N,N-dimethyl-2-[(2E)-3-methylpenta-2,4-dienoxy]ethanamine;ethene is C=C.C=C/C(C)=C/COCCN(C)C.
What is the InChIKey of N,N-dimethyl-2-[(2E)-3-methylpenta-2,4-dienoxy]ethanamine;ethene?
The InChIKey is GRJLYAVLLRDMQW-AAGWESIMSA-N. The full InChI is InChI=1S/C10H19NO.C2H4/c1-5-10(2)6-8-12-9-7-11(3)4;1-2/h5-6H,1,7-9H2,2-4H3;1-2H2/b10-6+;.
What are the key properties of N,N-dimethyl-2-[(2E)-3-methylpenta-2,4-dienoxy]ethanamine;ethene?
N,N-dimethyl-2-[(2E)-3-methylpenta-2,4-dienoxy]ethanamine;ethene has a molecular weight of 197.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2E)-3-methylpenta-2,4-dienoxy]ethanamine;ethene is sourced from PubChem (CID 143712106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).