N'-[2-(2,2-dioctadecylhydrazinyl)ethyl]ethane-1,2-diamine

C40H86N4 — CID 19708261

IUPACN'-[2-(2,2-dioctadecylhydrazinyl)ethyl]ethane-1,2-diamine
SMILESCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)NCCNCCN
InChIInChI=1S/C40H86N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-44(43-38-37-42-36-35-41)40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42-43H,3-41H2,1-2H3
InChIKeyANWBOWHGFAUZGV-UHFFFAOYSA-N
MW623.16 g/mol
LogP11.86
Rot. Bonds40

About N'-[2-(2,2-dioctadecylhydrazinyl)ethyl]ethane-1,2-diamine

N'-[2-(2,2-dioctadecylhydrazinyl)ethyl]ethane-1,2-diamine (PubChem CID 19708261) has the molecular formula C40H86N4 and a molecular weight of 623.16 g/mol. Its IUPAC name is N'-[2-(2,2-dioctadecylhydrazinyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2,2-dioctadecylhydrazinyl)ethyl]ethane-1,2-diamine
PubChem CID19708261
Molecular FormulaC40H86N4
Molecular Weight623.16 g/mol
Exact Mass622.69
IUPAC NameN'-[2-(2,2-dioctadecylhydrazinyl)ethyl]ethane-1,2-diamine
SMILESCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)NCCNCCN
InChIInChI=1S/C40H86N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-44(43-38-37-42-36-35-41)40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42-43H,3-41H2,1-2H3
InChIKeyANWBOWHGFAUZGV-UHFFFAOYSA-N
XLogP11.86
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds40
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.16
LogP ≤ 511.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-aminoethyl)-2-tridecylhydrazinyl]ethyl]tetradecan-1-amine
CID 89262213
N'-(2-aminoethyl)ethane-1,2-diamine;N,N-dioctyloctan-1-amine
CID 19864694
N'-[2-[2-[2-(2-aminoethyl)-2-(3-aminopropyl)hydrazinyl]ethylamino]ethyl]ethane-1,2-diamine
CID 90866572
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine
CID 87602895
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371
N'-[2-(dioctadecylamino)ethyl]ethane-1,2-diamine
CID 19593405
N'-docosylethane-1,2-diamine
CID 18783196
N'-henicosylethane-1,2-diamine
CID 22930907
2-ethyl-1,1-dioctylhydrazine
CID 87060766
N-hexylhexan-1-amine;propan-1-amine
CID 87675299
N'-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]ethane-1,2-diamine
CID 88548563
N'-[2-[di(nonyl)amino]ethyl]octane-1,8-diamine
CID 142498918

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,2-dioctadecylhydrazinyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2,2-dioctadecylhydrazinyl)ethyl]ethane-1,2-diamine (CID 19708261) is N'-[2-(2,2-dioctadecylhydrazinyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2,2-dioctadecylhydrazinyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2,2-dioctadecylhydrazinyl)ethyl]ethane-1,2-diamine is CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)NCCNCCN.
What is the InChIKey of N'-[2-(2,2-dioctadecylhydrazinyl)ethyl]ethane-1,2-diamine?
The InChIKey is ANWBOWHGFAUZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H86N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-44(43-38-37-42-36-35-41)40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42-43H,3-41H2,1-2H3.
What are the key properties of N'-[2-(2,2-dioctadecylhydrazinyl)ethyl]ethane-1,2-diamine?
N'-[2-(2,2-dioctadecylhydrazinyl)ethyl]ethane-1,2-diamine has a molecular weight of 623.16 g/mol, XLogP of 11.86, 40 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,2-dioctadecylhydrazinyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 19708261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).