N-[(5E,7E,11Z,13Z)-4-propan-2-ylidene-5-[(Z)-prop-1-enyl]heptadeca-5,7,11,13-tetraen-2-ylidene]-N'-prop-1-en-2-ylmethanimidamide

C27H40N2 — CID 134364888

IUPACN-[(5E,7E,11Z,13Z)-4-propan-2-ylidene-5-[(Z)-prop-1-enyl]heptadeca-5,7,11,13-tetraen-2-ylidene]-N'-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)/N=C/N=C(\C)CC(=C(C)C)C(/C=C\C)=C/C=C/CC/C=C\C=C/CCC
InChIInChI=1S/C27H40N2/c1-8-10-11-12-13-14-15-16-17-18-20-26(19-9-2)27(23(3)4)21-25(7)29-22-28-24(5)6/h9,11-14,17-20,22H,5,8,10,15-16,21H2,1-4,6-7H3/b12-11-,14-13-,18-17+,19-9-,26-20+,28-22+,29-25+
InChIKeyPJZGUKVWALYNJV-YNLGAOTBSA-N
MW392.63 g/mol
LogP8.49
Rot. Bonds13

About N-[(5E,7E,11Z,13Z)-4-propan-2-ylidene-5-[(Z)-prop-1-enyl]heptadeca-5,7,11,13-tetraen-2-ylidene]-N'-prop-1-en-2-ylmethanimidamide

N-[(5E,7E,11Z,13Z)-4-propan-2-ylidene-5-[(Z)-prop-1-enyl]heptadeca-5,7,11,13-tetraen-2-ylidene]-N'-prop-1-en-2-ylmethanimidamide (PubChem CID 134364888) has the molecular formula C27H40N2 and a molecular weight of 392.63 g/mol. Its IUPAC name is N-[(5E,7E,11Z,13Z)-4-propan-2-ylidene-5-[(Z)-prop-1-enyl]heptadeca-5,7,11,13-tetraen-2-ylidene]-N'-prop-1-en-2-ylmethanimidamide.

Molecular Properties

Compound NameN-[(5E,7E,11Z,13Z)-4-propan-2-ylidene-5-[(Z)-prop-1-enyl]heptadeca-5,7,11,13-tetraen-2-ylidene]-N'-prop-1-en-2-ylmethanimidamide
PubChem CID134364888
Molecular FormulaC27H40N2
Molecular Weight392.63 g/mol
Exact Mass392.32
IUPAC NameN-[(5E,7E,11Z,13Z)-4-propan-2-ylidene-5-[(Z)-prop-1-enyl]heptadeca-5,7,11,13-tetraen-2-ylidene]-N'-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)/N=C/N=C(\C)CC(=C(C)C)C(/C=C\C)=C/C=C/CC/C=C\C=C/CCC
InChIInChI=1S/C27H40N2/c1-8-10-11-12-13-14-15-16-17-18-20-26(19-9-2)27(23(3)4)21-25(7)29-22-28-24(5)6/h9,11-14,17-20,22H,5,8,10,15-16,21H2,1-4,6-7H3/b12-11-,14-13-,18-17+,19-9-,26-20+,28-22+,29-25+
InChIKeyPJZGUKVWALYNJV-YNLGAOTBSA-N
XLogP8.49
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.63
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5E,7E,11Z,13Z)-4-propan-2-ylidene-5-[(Z)-prop-1-enyl]heptadeca-5,7,11,13-tetraen-2-ylidene]-N'-prop-1-en-2-ylmethanimidamide?
The IUPAC name of N-[(5E,7E,11Z,13Z)-4-propan-2-ylidene-5-[(Z)-prop-1-enyl]heptadeca-5,7,11,13-tetraen-2-ylidene]-N'-prop-1-en-2-ylmethanimidamide (CID 134364888) is N-[(5E,7E,11Z,13Z)-4-propan-2-ylidene-5-[(Z)-prop-1-enyl]heptadeca-5,7,11,13-tetraen-2-ylidene]-N'-prop-1-en-2-ylmethanimidamide.
What is the SMILES notation for N-[(5E,7E,11Z,13Z)-4-propan-2-ylidene-5-[(Z)-prop-1-enyl]heptadeca-5,7,11,13-tetraen-2-ylidene]-N'-prop-1-en-2-ylmethanimidamide?
The canonical SMILES for N-[(5E,7E,11Z,13Z)-4-propan-2-ylidene-5-[(Z)-prop-1-enyl]heptadeca-5,7,11,13-tetraen-2-ylidene]-N'-prop-1-en-2-ylmethanimidamide is C=C(C)/N=C/N=C(\C)CC(=C(C)C)C(/C=C\C)=C/C=C/CC/C=C\C=C/CCC.
What is the InChIKey of N-[(5E,7E,11Z,13Z)-4-propan-2-ylidene-5-[(Z)-prop-1-enyl]heptadeca-5,7,11,13-tetraen-2-ylidene]-N'-prop-1-en-2-ylmethanimidamide?
The InChIKey is PJZGUKVWALYNJV-YNLGAOTBSA-N. The full InChI is InChI=1S/C27H40N2/c1-8-10-11-12-13-14-15-16-17-18-20-26(19-9-2)27(23(3)4)21-25(7)29-22-28-24(5)6/h9,11-14,17-20,22H,5,8,10,15-16,21H2,1-4,6-7H3/b12-11-,14-13-,18-17+,19-9-,26-20+,28-22+,29-25+.
What are the key properties of N-[(5E,7E,11Z,13Z)-4-propan-2-ylidene-5-[(Z)-prop-1-enyl]heptadeca-5,7,11,13-tetraen-2-ylidene]-N'-prop-1-en-2-ylmethanimidamide?
N-[(5E,7E,11Z,13Z)-4-propan-2-ylidene-5-[(Z)-prop-1-enyl]heptadeca-5,7,11,13-tetraen-2-ylidene]-N'-prop-1-en-2-ylmethanimidamide has a molecular weight of 392.63 g/mol, XLogP of 8.49, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E,7E,11Z,13Z)-4-propan-2-ylidene-5-[(Z)-prop-1-enyl]heptadeca-5,7,11,13-tetraen-2-ylidene]-N'-prop-1-en-2-ylmethanimidamide is sourced from PubChem (CID 134364888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).