(Z)-N-[1-[3-(3-iminopent-4-enyl)phenyl]ethenyl]-3-methylidenehept-4-en-1-amine;methane;propane

C25H40N2 — CID 142077272

IUPAC(Z)-N-[1-[3-(3-iminopent-4-enyl)phenyl]ethenyl]-3-methylidenehept-4-en-1-amine;methane;propane
SMILESC.CCC.[H]/N=C(\C=C)CCc1cccc(C(=C)NCCC(=C)/C=C\CC)c1
InChIInChI=1S/C21H28N2.C3H8.CH4/c1-5-7-9-17(3)14-15-23-18(4)20-11-8-10-19(16-20)12-13-21(22)6-2;1-3-2;/h6-11,16,22-23H,2-5,12-15H2,1H3;3H2,1-2H3;1H4/b9-7-,22-21+;;
InChIKeyMVURBWODGMKCFA-UQSUMBSYSA-N
MW368.61 g/mol
LogP7.35
Rot. Bonds11

About (Z)-N-[1-[3-(3-iminopent-4-enyl)phenyl]ethenyl]-3-methylidenehept-4-en-1-amine;methane;propane

(Z)-N-[1-[3-(3-iminopent-4-enyl)phenyl]ethenyl]-3-methylidenehept-4-en-1-amine;methane;propane (PubChem CID 142077272) has the molecular formula C25H40N2 and a molecular weight of 368.61 g/mol. Its IUPAC name is (Z)-N-[1-[3-(3-iminopent-4-enyl)phenyl]ethenyl]-3-methylidenehept-4-en-1-amine;methane;propane.

Molecular Properties

Compound Name(Z)-N-[1-[3-(3-iminopent-4-enyl)phenyl]ethenyl]-3-methylidenehept-4-en-1-amine;methane;propane
PubChem CID142077272
Molecular FormulaC25H40N2
Molecular Weight368.61 g/mol
Exact Mass368.32
IUPAC Name(Z)-N-[1-[3-(3-iminopent-4-enyl)phenyl]ethenyl]-3-methylidenehept-4-en-1-amine;methane;propane
SMILESC.CCC.[H]/N=C(\C=C)CCc1cccc(C(=C)NCCC(=C)/C=C\CC)c1
InChIInChI=1S/C21H28N2.C3H8.CH4/c1-5-7-9-17(3)14-15-23-18(4)20-11-8-10-19(16-20)12-13-21(22)6-2;1-3-2;/h6-11,16,22-23H,2-5,12-15H2,1H3;3H2,1-2H3;1H4/b9-7-,22-21+;;
InChIKeyMVURBWODGMKCFA-UQSUMBSYSA-N
XLogP7.35
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 57.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (Z)-N-[1-[3-(3-iminopent-4-enyl)phenyl]ethenyl]-3-methylidenehept-4-en-1-amine;methane;propane?
The IUPAC name of (Z)-N-[1-[3-(3-iminopent-4-enyl)phenyl]ethenyl]-3-methylidenehept-4-en-1-amine;methane;propane (CID 142077272) is (Z)-N-[1-[3-(3-iminopent-4-enyl)phenyl]ethenyl]-3-methylidenehept-4-en-1-amine;methane;propane.
What is the SMILES notation for (Z)-N-[1-[3-(3-iminopent-4-enyl)phenyl]ethenyl]-3-methylidenehept-4-en-1-amine;methane;propane?
The canonical SMILES for (Z)-N-[1-[3-(3-iminopent-4-enyl)phenyl]ethenyl]-3-methylidenehept-4-en-1-amine;methane;propane is C.CCC.[H]/N=C(\C=C)CCc1cccc(C(=C)NCCC(=C)/C=C\CC)c1.
What is the InChIKey of (Z)-N-[1-[3-(3-iminopent-4-enyl)phenyl]ethenyl]-3-methylidenehept-4-en-1-amine;methane;propane?
The InChIKey is MVURBWODGMKCFA-UQSUMBSYSA-N. The full InChI is InChI=1S/C21H28N2.C3H8.CH4/c1-5-7-9-17(3)14-15-23-18(4)20-11-8-10-19(16-20)12-13-21(22)6-2;1-3-2;/h6-11,16,22-23H,2-5,12-15H2,1H3;3H2,1-2H3;1H4/b9-7-,22-21+;;.
What are the key properties of (Z)-N-[1-[3-(3-iminopent-4-enyl)phenyl]ethenyl]-3-methylidenehept-4-en-1-amine;methane;propane?
(Z)-N-[1-[3-(3-iminopent-4-enyl)phenyl]ethenyl]-3-methylidenehept-4-en-1-amine;methane;propane has a molecular weight of 368.61 g/mol, XLogP of 7.35, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-[3-(3-iminopent-4-enyl)phenyl]ethenyl]-3-methylidenehept-4-en-1-amine;methane;propane is sourced from PubChem (CID 142077272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).