ethane;ethene;(4Z)-5-ethenyl-7-methylocta-4,7-dien-2-amine;2-methylidenebutan-1-amine

C20H40N2 — CID 144532084

IUPACethane;ethene;(4Z)-5-ethenyl-7-methylocta-4,7-dien-2-amine;2-methylidenebutan-1-amine
SMILESC=C.C=C(CC)CN.C=C/C(=C\CC(C)N)CC(=C)C.CC
InChIInChI=1S/C11H19N.C5H11N.C2H6.C2H4/c1-5-11(8-9(2)3)7-6-10(4)12;1-3-5(2)4-6;2*1-2/h5,7,10H,1-2,6,8,12H2,3-4H3;2-4,6H2,1H3;1-2H3;1-2H2/b11-7+;;;
InChIKeyHGPFQAFENCACED-DLEJXUKQSA-N
MW308.55 g/mol
LogP5.54
Rot. Bonds7

About ethane;ethene;(4Z)-5-ethenyl-7-methylocta-4,7-dien-2-amine;2-methylidenebutan-1-amine

ethane;ethene;(4Z)-5-ethenyl-7-methylocta-4,7-dien-2-amine;2-methylidenebutan-1-amine (PubChem CID 144532084) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is ethane;ethene;(4Z)-5-ethenyl-7-methylocta-4,7-dien-2-amine;2-methylidenebutan-1-amine.

Molecular Properties

Compound Nameethane;ethene;(4Z)-5-ethenyl-7-methylocta-4,7-dien-2-amine;2-methylidenebutan-1-amine
PubChem CID144532084
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Nameethane;ethene;(4Z)-5-ethenyl-7-methylocta-4,7-dien-2-amine;2-methylidenebutan-1-amine
SMILESC=C.C=C(CC)CN.C=C/C(=C\CC(C)N)CC(=C)C.CC
InChIInChI=1S/C11H19N.C5H11N.C2H6.C2H4/c1-5-11(8-9(2)3)7-6-10(4)12;1-3-5(2)4-6;2*1-2/h5,7,10H,1-2,6,8,12H2,3-4H3;2-4,6H2,1H3;1-2H3;1-2H2/b11-7+;;;
InChIKeyHGPFQAFENCACED-DLEJXUKQSA-N
XLogP5.54
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;ethene;(4Z)-5-ethenyl-7-methylocta-4,7-dien-2-amine;2-methylidenebutan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-Cyclohexa-1,5-dien-1-ylpropan-2-amine
CID 53774715
(6E)-7-fluoro-5-methylidenenona-1,6-dien-4-amine
CID 126537665
(4Z,5Z)-4-ethylidene-1-fluoro-7-methylocta-5,7-dien-2-amine
CID 129313467
(4E)-5-fluoro-4-[(Z)-prop-1-enyl]hepta-4,6-dien-2-amine
CID 153536936
(6Z,9E)-9-fluoro-5-methylideneundeca-6,9-dien-4-amine
CID 163377010
(3Z,5E)-7,7-difluoro-3-[(3E)-hexa-1,3-dien-3-yl]-6-methylocta-3,5-dien-2-amine
CID 166651332
(6E,8Z)-6-fluoro-2-methylundeca-1,6,8,10-tetraen-3-amine
CID 166810403
(E)-5-[(Z)-2-fluoroethenyl]oct-5-en-4-amine
CID 174064247
4-Ethyl-6-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-amine
CID 177000540
(3E,5E)-5-fluoro-3-prop-1-en-2-ylhepta-3,5-dien-2-amine
CID 168203144
2,6,10,15,19,23-Hexamethyl-tetracosa-2,6,10,14,18,22-hexaene-12,13-diamine
CID 5376258
1-Cyclopenta-1,3-dien-1-ylethanamine
CID 12564939

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(4Z)-5-ethenyl-7-methylocta-4,7-dien-2-amine;2-methylidenebutan-1-amine?
The IUPAC name of ethane;ethene;(4Z)-5-ethenyl-7-methylocta-4,7-dien-2-amine;2-methylidenebutan-1-amine (CID 144532084) is ethane;ethene;(4Z)-5-ethenyl-7-methylocta-4,7-dien-2-amine;2-methylidenebutan-1-amine.
What is the SMILES notation for ethane;ethene;(4Z)-5-ethenyl-7-methylocta-4,7-dien-2-amine;2-methylidenebutan-1-amine?
The canonical SMILES for ethane;ethene;(4Z)-5-ethenyl-7-methylocta-4,7-dien-2-amine;2-methylidenebutan-1-amine is C=C.C=C(CC)CN.C=C/C(=C\CC(C)N)CC(=C)C.CC.
What is the InChIKey of ethane;ethene;(4Z)-5-ethenyl-7-methylocta-4,7-dien-2-amine;2-methylidenebutan-1-amine?
The InChIKey is HGPFQAFENCACED-DLEJXUKQSA-N. The full InChI is InChI=1S/C11H19N.C5H11N.C2H6.C2H4/c1-5-11(8-9(2)3)7-6-10(4)12;1-3-5(2)4-6;2*1-2/h5,7,10H,1-2,6,8,12H2,3-4H3;2-4,6H2,1H3;1-2H3;1-2H2/b11-7+;;;.
What are the key properties of ethane;ethene;(4Z)-5-ethenyl-7-methylocta-4,7-dien-2-amine;2-methylidenebutan-1-amine?
ethane;ethene;(4Z)-5-ethenyl-7-methylocta-4,7-dien-2-amine;2-methylidenebutan-1-amine has a molecular weight of 308.55 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(4Z)-5-ethenyl-7-methylocta-4,7-dien-2-amine;2-methylidenebutan-1-amine is sourced from PubChem (CID 144532084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).