ethane;1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine;methanamine

C24H43N3 — CID 144815194

IUPACethane;1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine;methanamine
SMILESC=C/C=C\C(=C/C)CCCNC(=C)NCCC/C(C=C)=C/C=C.CC.CN
InChIInChI=1S/C21H32N2.C2H6.CH5N/c1-6-10-14-21(9-4)16-12-18-23-19(5)22-17-11-15-20(8-3)13-7-2;2*1-2/h6-10,13-14,22-23H,1-3,5,11-12,15-18H2,4H3;1-2H3;2H2,1H3/b14-10-,20-13+,21-9+;;
InChIKeyDKNBIABKVAKXHJ-OMCYGCFVSA-N
MW373.63 g/mol
LogP5.79
Rot. Bonds14

About ethane;1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine;methanamine

ethane;1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine;methanamine (PubChem CID 144815194) has the molecular formula C24H43N3 and a molecular weight of 373.63 g/mol. Its IUPAC name is ethane;1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine;methanamine.

Molecular Properties

Compound Nameethane;1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine;methanamine
PubChem CID144815194
Molecular FormulaC24H43N3
Molecular Weight373.63 g/mol
Exact Mass373.35
IUPAC Nameethane;1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine;methanamine
SMILESC=C/C=C\C(=C/C)CCCNC(=C)NCCC/C(C=C)=C/C=C.CC.CN
InChIInChI=1S/C21H32N2.C2H6.CH5N/c1-6-10-14-21(9-4)16-12-18-23-19(5)22-17-11-15-20(8-3)13-7-2;2*1-2/h6-10,13-14,22-23H,1-3,5,11-12,15-18H2,4H3;1-2H3;2H2,1H3/b14-10-,20-13+,21-9+;;
InChIKeyDKNBIABKVAKXHJ-OMCYGCFVSA-N
XLogP5.79
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.63
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine;methanamine?
The IUPAC name of ethane;1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine;methanamine (CID 144815194) is ethane;1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine;methanamine.
What is the SMILES notation for ethane;1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine;methanamine?
The canonical SMILES for ethane;1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine;methanamine is C=C/C=C\C(=C/C)CCCNC(=C)NCCC/C(C=C)=C/C=C.CC.CN.
What is the InChIKey of ethane;1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine;methanamine?
The InChIKey is DKNBIABKVAKXHJ-OMCYGCFVSA-N. The full InChI is InChI=1S/C21H32N2.C2H6.CH5N/c1-6-10-14-21(9-4)16-12-18-23-19(5)22-17-11-15-20(8-3)13-7-2;2*1-2/h6-10,13-14,22-23H,1-3,5,11-12,15-18H2,4H3;1-2H3;2H2,1H3/b14-10-,20-13+,21-9+;;.
What are the key properties of ethane;1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine;methanamine?
ethane;1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine;methanamine has a molecular weight of 373.63 g/mol, XLogP of 5.79, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine;methanamine is sourced from PubChem (CID 144815194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).