(2E,7Z,10Z)-5-ethenyl-10-N,5-dimethyl-9-methylidene-7-[(Z)-prop-1-enyl]-2-N-[(3E)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]dodeca-2,7,10-triene-2,10-diamine

C28H42N2 — CID 170184549

IUPAC(2E,7Z,10Z)-5-ethenyl-10-N,5-dimethyl-9-methylidene-7-[(Z)-prop-1-enyl]-2-N-[(3E)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]dodeca-2,7,10-triene-2,10-diamine
SMILESC=CC(C)(C/C=C(\C)NC(=C)/C(=C/C)C(=C)C)CC(/C=C\C)=C/C(=C)/C(=C/C)NC
InChIInChI=1S/C28H42N2/c1-12-16-25(19-22(7)27(14-3)29-11)20-28(10,15-4)18-17-23(8)30-24(9)26(13-2)21(5)6/h12-17,19,29-30H,4-5,7,9,18,20H2,1-3,6,8,10-11H3/b16-12-,23-17+,25-19+,26-13+,27-14-
InChIKeyZOKVOIKCWPBWLH-LHDXSXCESA-N
MW406.66 g/mol
LogP7.67
Rot. Bonds13

About (2E,7Z,10Z)-5-ethenyl-10-N,5-dimethyl-9-methylidene-7-[(Z)-prop-1-enyl]-2-N-[(3E)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]dodeca-2,7,10-triene-2,10-diamine

(2E,7Z,10Z)-5-ethenyl-10-N,5-dimethyl-9-methylidene-7-[(Z)-prop-1-enyl]-2-N-[(3E)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]dodeca-2,7,10-triene-2,10-diamine (PubChem CID 170184549) has the molecular formula C28H42N2 and a molecular weight of 406.66 g/mol. Its IUPAC name is (2E,7Z,10Z)-5-ethenyl-10-N,5-dimethyl-9-methylidene-7-[(Z)-prop-1-enyl]-2-N-[(3E)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]dodeca-2,7,10-triene-2,10-diamine.

Molecular Properties

Compound Name(2E,7Z,10Z)-5-ethenyl-10-N,5-dimethyl-9-methylidene-7-[(Z)-prop-1-enyl]-2-N-[(3E)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]dodeca-2,7,10-triene-2,10-diamine
PubChem CID170184549
Molecular FormulaC28H42N2
Molecular Weight406.66 g/mol
Exact Mass406.33
IUPAC Name(2E,7Z,10Z)-5-ethenyl-10-N,5-dimethyl-9-methylidene-7-[(Z)-prop-1-enyl]-2-N-[(3E)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]dodeca-2,7,10-triene-2,10-diamine
SMILESC=CC(C)(C/C=C(\C)NC(=C)/C(=C/C)C(=C)C)CC(/C=C\C)=C/C(=C)/C(=C/C)NC
InChIInChI=1S/C28H42N2/c1-12-16-25(19-22(7)27(14-3)29-11)20-28(10,15-4)18-17-23(8)30-24(9)26(13-2)21(5)6/h12-17,19,29-30H,4-5,7,9,18,20H2,1-3,6,8,10-11H3/b16-12-,23-17+,25-19+,26-13+,27-14-
InChIKeyZOKVOIKCWPBWLH-LHDXSXCESA-N
XLogP7.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.66
LogP ≤ 57.67
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 (2E,7Z,10Z)-5-ethenyl-10-N,5-dimethyl-9-methylidene-7-[(Z)-prop-1-enyl]-2-N-[(3E)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]dodeca-2,7,10-triene-2,10-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,7Z,10Z)-5-ethenyl-10-N,5-dimethyl-9-methylidene-7-[(Z)-prop-1-enyl]-2-N-[(3E)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]dodeca-2,7,10-triene-2,10-diamine?
The IUPAC name of (2E,7Z,10Z)-5-ethenyl-10-N,5-dimethyl-9-methylidene-7-[(Z)-prop-1-enyl]-2-N-[(3E)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]dodeca-2,7,10-triene-2,10-diamine (CID 170184549) is (2E,7Z,10Z)-5-ethenyl-10-N,5-dimethyl-9-methylidene-7-[(Z)-prop-1-enyl]-2-N-[(3E)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]dodeca-2,7,10-triene-2,10-diamine.
What is the SMILES notation for (2E,7Z,10Z)-5-ethenyl-10-N,5-dimethyl-9-methylidene-7-[(Z)-prop-1-enyl]-2-N-[(3E)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]dodeca-2,7,10-triene-2,10-diamine?
The canonical SMILES for (2E,7Z,10Z)-5-ethenyl-10-N,5-dimethyl-9-methylidene-7-[(Z)-prop-1-enyl]-2-N-[(3E)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]dodeca-2,7,10-triene-2,10-diamine is C=CC(C)(C/C=C(\C)NC(=C)/C(=C/C)C(=C)C)CC(/C=C\C)=C/C(=C)/C(=C/C)NC.
What is the InChIKey of (2E,7Z,10Z)-5-ethenyl-10-N,5-dimethyl-9-methylidene-7-[(Z)-prop-1-enyl]-2-N-[(3E)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]dodeca-2,7,10-triene-2,10-diamine?
The InChIKey is ZOKVOIKCWPBWLH-LHDXSXCESA-N. The full InChI is InChI=1S/C28H42N2/c1-12-16-25(19-22(7)27(14-3)29-11)20-28(10,15-4)18-17-23(8)30-24(9)26(13-2)21(5)6/h12-17,19,29-30H,4-5,7,9,18,20H2,1-3,6,8,10-11H3/b16-12-,23-17+,25-19+,26-13+,27-14-.
What are the key properties of (2E,7Z,10Z)-5-ethenyl-10-N,5-dimethyl-9-methylidene-7-[(Z)-prop-1-enyl]-2-N-[(3E)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]dodeca-2,7,10-triene-2,10-diamine?
(2E,7Z,10Z)-5-ethenyl-10-N,5-dimethyl-9-methylidene-7-[(Z)-prop-1-enyl]-2-N-[(3E)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]dodeca-2,7,10-triene-2,10-diamine has a molecular weight of 406.66 g/mol, XLogP of 7.67, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7Z,10Z)-5-ethenyl-10-N,5-dimethyl-9-methylidene-7-[(Z)-prop-1-enyl]-2-N-[(3E)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]dodeca-2,7,10-triene-2,10-diamine is sourced from PubChem (CID 170184549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).