(2Z,4Z,7Z)-1-N-(2,2-dimethylpropyl)-9-N-ethyl-3-methyl-6-methylidene-7-(methylideneamino)-9-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]deca-2,4,7,9-tetraene-1,9-diamine

C29H45N3 — CID 130183055

IUPAC(2Z,4Z,7Z)-1-N-(2,2-dimethylpropyl)-9-N-ethyl-3-methyl-6-methylidene-7-(methylideneamino)-9-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]deca-2,4,7,9-tetraene-1,9-diamine
SMILESC=C/C=C\C(=C/CC)CN(CC)C(=C)/C=C(\N=C)C(=C)/C=C\C(C)=C/CNCC(C)(C)C
InChIInChI=1S/C29H45N3/c1-11-14-16-27(15-12-2)22-32(13-3)26(6)21-28(30-10)25(5)18-17-24(4)19-20-31-23-29(7,8)9/h11,14-19,21,31H,1,5-6,10,12-13,20,22-23H2,2-4,7-9H3/b16-14-,18-17-,24-19-,27-15+,28-21-
InChIKeyXLHPKXTVTOOOCV-FRVDFEJLSA-N
MW435.70 g/mol
LogP7.18
Rot. Bonds15

About (2Z,4Z,7Z)-1-N-(2,2-dimethylpropyl)-9-N-ethyl-3-methyl-6-methylidene-7-(methylideneamino)-9-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]deca-2,4,7,9-tetraene-1,9-diamine

(2Z,4Z,7Z)-1-N-(2,2-dimethylpropyl)-9-N-ethyl-3-methyl-6-methylidene-7-(methylideneamino)-9-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]deca-2,4,7,9-tetraene-1,9-diamine (PubChem CID 130183055) has the molecular formula C29H45N3 and a molecular weight of 435.70 g/mol. Its IUPAC name is (2Z,4Z,7Z)-1-N-(2,2-dimethylpropyl)-9-N-ethyl-3-methyl-6-methylidene-7-(methylideneamino)-9-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]deca-2,4,7,9-tetraene-1,9-diamine.

Molecular Properties

Compound Name(2Z,4Z,7Z)-1-N-(2,2-dimethylpropyl)-9-N-ethyl-3-methyl-6-methylidene-7-(methylideneamino)-9-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]deca-2,4,7,9-tetraene-1,9-diamine
PubChem CID130183055
Molecular FormulaC29H45N3
Molecular Weight435.70 g/mol
Exact Mass435.36
IUPAC Name(2Z,4Z,7Z)-1-N-(2,2-dimethylpropyl)-9-N-ethyl-3-methyl-6-methylidene-7-(methylideneamino)-9-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]deca-2,4,7,9-tetraene-1,9-diamine
SMILESC=C/C=C\C(=C/CC)CN(CC)C(=C)/C=C(\N=C)C(=C)/C=C\C(C)=C/CNCC(C)(C)C
InChIInChI=1S/C29H45N3/c1-11-14-16-27(15-12-2)22-32(13-3)26(6)21-28(30-10)25(5)18-17-24(4)19-20-31-23-29(7,8)9/h11,14-19,21,31H,1,5-6,10,12-13,20,22-23H2,2-4,7-9H3/b16-14-,18-17-,24-19-,27-15+,28-21-
InChIKeyXLHPKXTVTOOOCV-FRVDFEJLSA-N
XLogP7.18
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.70
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z,4Z,7Z)-1-N-(2,2-dimethylpropyl)-9-N-ethyl-3-methyl-6-methylidene-7-(methylideneamino)-9-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]deca-2,4,7,9-tetraene-1,9-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,7Z)-1-N-(2,2-dimethylpropyl)-9-N-ethyl-3-methyl-6-methylidene-7-(methylideneamino)-9-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]deca-2,4,7,9-tetraene-1,9-diamine?
The IUPAC name of (2Z,4Z,7Z)-1-N-(2,2-dimethylpropyl)-9-N-ethyl-3-methyl-6-methylidene-7-(methylideneamino)-9-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]deca-2,4,7,9-tetraene-1,9-diamine (CID 130183055) is (2Z,4Z,7Z)-1-N-(2,2-dimethylpropyl)-9-N-ethyl-3-methyl-6-methylidene-7-(methylideneamino)-9-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]deca-2,4,7,9-tetraene-1,9-diamine.
What is the SMILES notation for (2Z,4Z,7Z)-1-N-(2,2-dimethylpropyl)-9-N-ethyl-3-methyl-6-methylidene-7-(methylideneamino)-9-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]deca-2,4,7,9-tetraene-1,9-diamine?
The canonical SMILES for (2Z,4Z,7Z)-1-N-(2,2-dimethylpropyl)-9-N-ethyl-3-methyl-6-methylidene-7-(methylideneamino)-9-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]deca-2,4,7,9-tetraene-1,9-diamine is C=C/C=C\C(=C/CC)CN(CC)C(=C)/C=C(\N=C)C(=C)/C=C\C(C)=C/CNCC(C)(C)C.
What is the InChIKey of (2Z,4Z,7Z)-1-N-(2,2-dimethylpropyl)-9-N-ethyl-3-methyl-6-methylidene-7-(methylideneamino)-9-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]deca-2,4,7,9-tetraene-1,9-diamine?
The InChIKey is XLHPKXTVTOOOCV-FRVDFEJLSA-N. The full InChI is InChI=1S/C29H45N3/c1-11-14-16-27(15-12-2)22-32(13-3)26(6)21-28(30-10)25(5)18-17-24(4)19-20-31-23-29(7,8)9/h11,14-19,21,31H,1,5-6,10,12-13,20,22-23H2,2-4,7-9H3/b16-14-,18-17-,24-19-,27-15+,28-21-.
What are the key properties of (2Z,4Z,7Z)-1-N-(2,2-dimethylpropyl)-9-N-ethyl-3-methyl-6-methylidene-7-(methylideneamino)-9-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]deca-2,4,7,9-tetraene-1,9-diamine?
(2Z,4Z,7Z)-1-N-(2,2-dimethylpropyl)-9-N-ethyl-3-methyl-6-methylidene-7-(methylideneamino)-9-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]deca-2,4,7,9-tetraene-1,9-diamine has a molecular weight of 435.70 g/mol, XLogP of 7.18, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,7Z)-1-N-(2,2-dimethylpropyl)-9-N-ethyl-3-methyl-6-methylidene-7-(methylideneamino)-9-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]deca-2,4,7,9-tetraene-1,9-diamine is sourced from PubChem (CID 130183055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).