(1Z,3Z,5E)-5-[(E)-N-(1-aminoethenyl)-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-N,3-N,4-trimethylhexa-1,3,5-triene-1,3,6-triamine;ethane;propane

C22H45N5 — CID 143922562

IUPAC(1Z,3Z,5E)-5-[(E)-N-(1-aminoethenyl)-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-N,3-N,4-trimethylhexa-1,3,5-triene-1,3,6-triamine;ethane;propane
SMILESC=C(N)/N=C(\C=C/C)C(=CN)/C(C)=C(/C=C\N)N(C)C.CC.CC.CCC
InChIInChI=1S/C15H25N5.C3H8.2C2H6/c1-6-7-14(19-12(3)18)13(10-17)11(2)15(8-9-16)20(4)5;1-3-2;2*1-2/h6-10H,3,16-18H2,1-2,4-5H3;3H2,1-2H3;2*1-2H3/b7-6-,9-8-,13-10+,15-11-,19-14+;;;
InChIKeyAQJOOWZYFWXIDR-NCFWBQPJSA-N
MW379.64 g/mol
LogP5.05
Rot. Bonds6

About (1Z,3Z,5E)-5-[(E)-N-(1-aminoethenyl)-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-N,3-N,4-trimethylhexa-1,3,5-triene-1,3,6-triamine;ethane;propane

(1Z,3Z,5E)-5-[(E)-N-(1-aminoethenyl)-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-N,3-N,4-trimethylhexa-1,3,5-triene-1,3,6-triamine;ethane;propane (PubChem CID 143922562) has the molecular formula C22H45N5 and a molecular weight of 379.64 g/mol. Its IUPAC name is (1Z,3Z,5E)-5-[(E)-N-(1-aminoethenyl)-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-N,3-N,4-trimethylhexa-1,3,5-triene-1,3,6-triamine;ethane;propane.

Molecular Properties

Compound Name(1Z,3Z,5E)-5-[(E)-N-(1-aminoethenyl)-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-N,3-N,4-trimethylhexa-1,3,5-triene-1,3,6-triamine;ethane;propane
PubChem CID143922562
Molecular FormulaC22H45N5
Molecular Weight379.64 g/mol
Exact Mass379.37
IUPAC Name(1Z,3Z,5E)-5-[(E)-N-(1-aminoethenyl)-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-N,3-N,4-trimethylhexa-1,3,5-triene-1,3,6-triamine;ethane;propane
SMILESC=C(N)/N=C(\C=C/C)C(=CN)/C(C)=C(/C=C\N)N(C)C.CC.CC.CCC
InChIInChI=1S/C15H25N5.C3H8.2C2H6/c1-6-7-14(19-12(3)18)13(10-17)11(2)15(8-9-16)20(4)5;1-3-2;2*1-2/h6-10H,3,16-18H2,1-2,4-5H3;3H2,1-2H3;2*1-2H3/b7-6-,9-8-,13-10+,15-11-,19-14+;;;
InChIKeyAQJOOWZYFWXIDR-NCFWBQPJSA-N
XLogP5.05
TPSA93.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.64
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5E)-5-[(E)-N-(1-aminoethenyl)-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-N,3-N,4-trimethylhexa-1,3,5-triene-1,3,6-triamine;ethane;propane?
The IUPAC name of (1Z,3Z,5E)-5-[(E)-N-(1-aminoethenyl)-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-N,3-N,4-trimethylhexa-1,3,5-triene-1,3,6-triamine;ethane;propane (CID 143922562) is (1Z,3Z,5E)-5-[(E)-N-(1-aminoethenyl)-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-N,3-N,4-trimethylhexa-1,3,5-triene-1,3,6-triamine;ethane;propane.
What is the SMILES notation for (1Z,3Z,5E)-5-[(E)-N-(1-aminoethenyl)-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-N,3-N,4-trimethylhexa-1,3,5-triene-1,3,6-triamine;ethane;propane?
The canonical SMILES for (1Z,3Z,5E)-5-[(E)-N-(1-aminoethenyl)-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-N,3-N,4-trimethylhexa-1,3,5-triene-1,3,6-triamine;ethane;propane is C=C(N)/N=C(\C=C/C)C(=CN)/C(C)=C(/C=C\N)N(C)C.CC.CC.CCC.
What is the InChIKey of (1Z,3Z,5E)-5-[(E)-N-(1-aminoethenyl)-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-N,3-N,4-trimethylhexa-1,3,5-triene-1,3,6-triamine;ethane;propane?
The InChIKey is AQJOOWZYFWXIDR-NCFWBQPJSA-N. The full InChI is InChI=1S/C15H25N5.C3H8.2C2H6/c1-6-7-14(19-12(3)18)13(10-17)11(2)15(8-9-16)20(4)5;1-3-2;2*1-2/h6-10H,3,16-18H2,1-2,4-5H3;3H2,1-2H3;2*1-2H3/b7-6-,9-8-,13-10+,15-11-,19-14+;;;.
What are the key properties of (1Z,3Z,5E)-5-[(E)-N-(1-aminoethenyl)-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-N,3-N,4-trimethylhexa-1,3,5-triene-1,3,6-triamine;ethane;propane?
(1Z,3Z,5E)-5-[(E)-N-(1-aminoethenyl)-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-N,3-N,4-trimethylhexa-1,3,5-triene-1,3,6-triamine;ethane;propane has a molecular weight of 379.64 g/mol, XLogP of 5.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5E)-5-[(E)-N-(1-aminoethenyl)-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-N,3-N,4-trimethylhexa-1,3,5-triene-1,3,6-triamine;ethane;propane is sourced from PubChem (CID 143922562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).