1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine

C45H90N2 — CID 142475690

IUPAC1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine
SMILESC=C(CCCCCCCCC(CCCCCCCCC)N(NC)C(=C)CCCCCCCC)CC(CCCCCC)CCCCCC
InChIInChI=1S/C45H90N2/c1-8-12-16-20-22-27-33-39-45(47(46-7)43(6)36-30-26-21-17-13-9-2)40-34-28-24-23-25-29-35-42(5)41-44(37-31-18-14-10-3)38-32-19-15-11-4/h44-46H,5-6,8-41H2,1-4,7H3
InChIKeyWQPSJCGDZOPVHX-UHFFFAOYSA-N
MW659.23 g/mol
LogP15.82
Rot. Bonds39

About 1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine

1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine (PubChem CID 142475690) has the molecular formula C45H90N2 and a molecular weight of 659.23 g/mol. Its IUPAC name is 1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine.

Molecular Properties

Compound Name1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine
PubChem CID142475690
Molecular FormulaC45H90N2
Molecular Weight659.23 g/mol
Exact Mass658.71
IUPAC Name1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine
SMILESC=C(CCCCCCCCC(CCCCCCCCC)N(NC)C(=C)CCCCCCCC)CC(CCCCCC)CCCCCC
InChIInChI=1S/C45H90N2/c1-8-12-16-20-22-27-33-39-45(47(46-7)43(6)36-30-26-21-17-13-9-2)40-34-28-24-23-25-29-35-42(5)41-44(37-31-18-14-10-3)38-32-19-15-11-4/h44-46H,5-6,8-41H2,1-4,7H3
InChIKeyWQPSJCGDZOPVHX-UHFFFAOYSA-N
XLogP15.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds39
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.23
LogP ≤ 515.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 171825332
11-ethyl-9-methylidenehexadec-1-ene
CID 155570249
14-ethyl-11-methylideneoctacosane
CID 142291477
6-[3-hexyl-4-(9-methylidene-11-octylnonadecyl)phenyl]-N-methyl-4-methylidenehexan-1-amine
CID 170419624
1,1,2-trimethyl-2-(17-methylideneicosan-8-yl)hydrazine
CID 155248592
N,N-dimethyl-10-methylidene-2-(8-methylidene-12-pentylheptadecyl)-14-pentylnonadecan-1-amine
CID 170071949
(15Z,18Z)-N-ethyl-4-methylidene-6-[(9Z,12Z)-octadeca-9,12-dienyl]tetracosa-15,18-dien-1-amine
CID 139380837
17-methylidenetricosan-9-amine
CID 129036120
6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883

Frequently Asked Questions

What is the IUPAC name of 1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine?
The IUPAC name of 1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine (CID 142475690) is 1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine.
What is the SMILES notation for 1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine?
The canonical SMILES for 1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine is C=C(CCCCCCCCC(CCCCCCCCC)N(NC)C(=C)CCCCCCCC)CC(CCCCCC)CCCCCC.
What is the InChIKey of 1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine?
The InChIKey is WQPSJCGDZOPVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H90N2/c1-8-12-16-20-22-27-33-39-45(47(46-7)43(6)36-30-26-21-17-13-9-2)40-34-28-24-23-25-29-35-42(5)41-44(37-31-18-14-10-3)38-32-19-15-11-4/h44-46H,5-6,8-41H2,1-4,7H3.
What are the key properties of 1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine?
1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine has a molecular weight of 659.23 g/mol, XLogP of 15.82, 39 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine is sourced from PubChem (CID 142475690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).