1-decyl-2,2-didodecyl-1-(2-methylidenebut-3-enyl)hydrazine

C39H78N2 — CID 168880735

IUPAC1-decyl-2,2-didodecyl-1-(2-methylidenebut-3-enyl)hydrazine
SMILESC=CC(=C)CN(CCCCCCCCCC)N(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C39H78N2/c1-6-10-13-16-19-22-24-27-29-32-35-40(36-33-30-28-25-23-20-17-14-11-7-2)41(38-39(5)9-4)37-34-31-26-21-18-15-12-8-3/h9H,4-8,10-38H2,1-3H3
InChIKeyLOTWKTRETLPYLV-UHFFFAOYSA-N
MW575.07 g/mol
LogP13.23
Rot. Bonds35

About 1-decyl-2,2-didodecyl-1-(2-methylidenebut-3-enyl)hydrazine

1-decyl-2,2-didodecyl-1-(2-methylidenebut-3-enyl)hydrazine (PubChem CID 168880735) has the molecular formula C39H78N2 and a molecular weight of 575.07 g/mol. Its IUPAC name is 1-decyl-2,2-didodecyl-1-(2-methylidenebut-3-enyl)hydrazine.

Molecular Properties

Compound Name1-decyl-2,2-didodecyl-1-(2-methylidenebut-3-enyl)hydrazine
PubChem CID168880735
Molecular FormulaC39H78N2
Molecular Weight575.07 g/mol
Exact Mass574.62
IUPAC Name1-decyl-2,2-didodecyl-1-(2-methylidenebut-3-enyl)hydrazine
SMILESC=CC(=C)CN(CCCCCCCCCC)N(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C39H78N2/c1-6-10-13-16-19-22-24-27-29-32-35-40(36-33-30-28-25-23-20-17-14-11-7-2)41(38-39(5)9-4)37-34-31-26-21-18-15-12-8-3/h9H,4-8,10-38H2,1-3H3
InChIKeyLOTWKTRETLPYLV-UHFFFAOYSA-N
XLogP13.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds35
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.07
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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[hexyl(hydroxymethyl)amino]methanol
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N,N-dimethyldodecan-1-amine;hypobromous acid
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heptadecane;prop-2-enoic acid
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icosane;nonadecane;bis(prop-2-enoic acid)
CID 173305512

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2,2-didodecyl-1-(2-methylidenebut-3-enyl)hydrazine?
The IUPAC name of 1-decyl-2,2-didodecyl-1-(2-methylidenebut-3-enyl)hydrazine (CID 168880735) is 1-decyl-2,2-didodecyl-1-(2-methylidenebut-3-enyl)hydrazine.
What is the SMILES notation for 1-decyl-2,2-didodecyl-1-(2-methylidenebut-3-enyl)hydrazine?
The canonical SMILES for 1-decyl-2,2-didodecyl-1-(2-methylidenebut-3-enyl)hydrazine is C=CC(=C)CN(CCCCCCCCCC)N(CCCCCCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of 1-decyl-2,2-didodecyl-1-(2-methylidenebut-3-enyl)hydrazine?
The InChIKey is LOTWKTRETLPYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H78N2/c1-6-10-13-16-19-22-24-27-29-32-35-40(36-33-30-28-25-23-20-17-14-11-7-2)41(38-39(5)9-4)37-34-31-26-21-18-15-12-8-3/h9H,4-8,10-38H2,1-3H3.
What are the key properties of 1-decyl-2,2-didodecyl-1-(2-methylidenebut-3-enyl)hydrazine?
1-decyl-2,2-didodecyl-1-(2-methylidenebut-3-enyl)hydrazine has a molecular weight of 575.07 g/mol, XLogP of 13.23, 35 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2,2-didodecyl-1-(2-methylidenebut-3-enyl)hydrazine is sourced from PubChem (CID 168880735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).