ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine

C12H25N — CID 142873485

IUPACethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine
SMILESC=C.C=C/C(=C\C)CCNC.CC
InChIInChI=1S/C8H15N.C2H6.C2H4/c1-4-8(5-2)6-7-9-3;2*1-2/h4-5,9H,1,6-7H2,2-3H3;1-2H3;1-2H2/b8-5+;;
InChIKeyDZRVBVOEPFRGNJ-RMZRELHQSA-N
MW183.34 g/mol
LogP3.56
Rot. Bonds4

About ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine

ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine (PubChem CID 142873485) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine.

Molecular Properties

Compound Nameethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine
PubChem CID142873485
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Nameethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine
SMILESC=C.C=C/C(=C\C)CCNC.CC
InChIInChI=1S/C8H15N.C2H6.C2H4/c1-4-8(5-2)6-7-9-3;2*1-2/h4-5,9H,1,6-7H2,2-3H3;1-2H3;1-2H2/b8-5+;;
InChIKeyDZRVBVOEPFRGNJ-RMZRELHQSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine 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

ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine
CID 143499023
(Z)-4-ethenyl-N-methylhept-3-en-1-amine
CID 130333267
ethane;ethene;(Z)-4-ethenylhex-4-enoic acid
CID 177225786
(3E)-3-(bromomethyl)penta-1,3-diene;ethene
CID 145426536
(3E)-3-(chloromethyl)penta-1,3-diene;ethane;prop-1-ene
CID 144532054
ethene;(E)-2-ethenylbut-2-en-1-ol
CID 142149332
ethane;(3E)-3-ethylidenehex-1-ene;propane;propylphosphane
CID 143343159
3-ethylideneoct-1-ene
CID 91511297
ethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene
CID 143267495
(Z,3Z)-3-ethylidene-N,6-dimethyloct-4-en-1-amine
CID 143115320
(Z)-3-ethenyl-N-(2-phenylethyl)pent-3-en-1-amine
CID 137380998
4-ethenylhexa-1,4-diene
CID 85441048

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine?
The IUPAC name of ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine (CID 142873485) is ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine.
What is the SMILES notation for ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine?
The canonical SMILES for ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine is C=C.C=C/C(=C\C)CCNC.CC.
What is the InChIKey of ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine?
The InChIKey is DZRVBVOEPFRGNJ-RMZRELHQSA-N. The full InChI is InChI=1S/C8H15N.C2H6.C2H4/c1-4-8(5-2)6-7-9-3;2*1-2/h4-5,9H,1,6-7H2,2-3H3;1-2H3;1-2H2/b8-5+;;.
What are the key properties of ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine?
ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine is sourced from PubChem (CID 142873485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).