N-[(E)-[(3E,17E,19E)-19-(dimethylhydrazinylidene)icosa-3,17-dien-9,11-diyn-2-ylidene]amino]-N-methylmethanamine

C24H38N4 — CID 11728681

IUPACN-[(E)-[(3E,17E,19E)-19-(dimethylhydrazinylidene)icosa-3,17-dien-9,11-diyn-2-ylidene]amino]-N-methylmethanamine
SMILESCC(/C=C/CCCCC#CC#CCCCC/C=C/C(C)=N/N(C)C)=N\N(C)C
InChIInChI=1S/C24H38N4/c1-23(25-27(3)4)21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24(2)26-28(5)6/h19-22H,11-18H2,1-6H3/b21-19+,22-20+,25-23+,26-24+
InChIKeyBQRJBDGPALUNDI-QNZGTZDUSA-N
MW382.60 g/mol
LogP5.10
Rot. Bonds12

About N-[(E)-[(3E,17E,19E)-19-(dimethylhydrazinylidene)icosa-3,17-dien-9,11-diyn-2-ylidene]amino]-N-methylmethanamine

N-[(E)-[(3E,17E,19E)-19-(dimethylhydrazinylidene)icosa-3,17-dien-9,11-diyn-2-ylidene]amino]-N-methylmethanamine (PubChem CID 11728681) has the molecular formula C24H38N4 and a molecular weight of 382.60 g/mol. Its IUPAC name is N-[(E)-[(3E,17E,19E)-19-(dimethylhydrazinylidene)icosa-3,17-dien-9,11-diyn-2-ylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[(3E,17E,19E)-19-(dimethylhydrazinylidene)icosa-3,17-dien-9,11-diyn-2-ylidene]amino]-N-methylmethanamine
PubChem CID11728681
Molecular FormulaC24H38N4
Molecular Weight382.60 g/mol
Exact Mass382.31
IUPAC NameN-[(E)-[(3E,17E,19E)-19-(dimethylhydrazinylidene)icosa-3,17-dien-9,11-diyn-2-ylidene]amino]-N-methylmethanamine
SMILESCC(/C=C/CCCCC#CC#CCCCC/C=C/C(C)=N/N(C)C)=N\N(C)C
InChIInChI=1S/C24H38N4/c1-23(25-27(3)4)21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24(2)26-28(5)6/h19-22H,11-18H2,1-6H3/b21-19+,22-20+,25-23+,26-24+
InChIKeyBQRJBDGPALUNDI-QNZGTZDUSA-N
XLogP5.10
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.60
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(3E,17E,19E)-19-(dimethylhydrazinylidene)icosa-3,17-dien-9,11-diyn-2-ylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[(3E,17E,19E)-19-(dimethylhydrazinylidene)icosa-3,17-dien-9,11-diyn-2-ylidene]amino]-N-methylmethanamine (CID 11728681) is N-[(E)-[(3E,17E,19E)-19-(dimethylhydrazinylidene)icosa-3,17-dien-9,11-diyn-2-ylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[(3E,17E,19E)-19-(dimethylhydrazinylidene)icosa-3,17-dien-9,11-diyn-2-ylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[(3E,17E,19E)-19-(dimethylhydrazinylidene)icosa-3,17-dien-9,11-diyn-2-ylidene]amino]-N-methylmethanamine is CC(/C=C/CCCCC#CC#CCCCC/C=C/C(C)=N/N(C)C)=N\N(C)C.
What is the InChIKey of N-[(E)-[(3E,17E,19E)-19-(dimethylhydrazinylidene)icosa-3,17-dien-9,11-diyn-2-ylidene]amino]-N-methylmethanamine?
The InChIKey is BQRJBDGPALUNDI-QNZGTZDUSA-N. The full InChI is InChI=1S/C24H38N4/c1-23(25-27(3)4)21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24(2)26-28(5)6/h19-22H,11-18H2,1-6H3/b21-19+,22-20+,25-23+,26-24+.
What are the key properties of N-[(E)-[(3E,17E,19E)-19-(dimethylhydrazinylidene)icosa-3,17-dien-9,11-diyn-2-ylidene]amino]-N-methylmethanamine?
N-[(E)-[(3E,17E,19E)-19-(dimethylhydrazinylidene)icosa-3,17-dien-9,11-diyn-2-ylidene]amino]-N-methylmethanamine has a molecular weight of 382.60 g/mol, XLogP of 5.10, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(3E,17E,19E)-19-(dimethylhydrazinylidene)icosa-3,17-dien-9,11-diyn-2-ylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 11728681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).