6-N-(8-amino-2-methyloctan-2-yl)-1-N-(7-methyloctyl)hexanedihydrazide

C24H51N5O2 — CID 143623930

IUPAC6-N-(8-amino-2-methyloctan-2-yl)-1-N-(7-methyloctyl)hexanedihydrazide
SMILESCC(C)CCCCCCN(N)C(=O)CCCCC(=O)N(N)C(C)(C)CCCCCCN
InChIInChI=1S/C24H51N5O2/c1-21(2)15-9-5-8-14-20-28(26)22(30)16-10-11-17-23(31)29(27)24(3,4)18-12-6-7-13-19-25/h21H,5-20,25-27H2,1-4H3
InChIKeyKZLLCWJVFWJZED-UHFFFAOYSA-N
MW441.71 g/mol
LogP4.25
Rot. Bonds19

About 6-N-(8-amino-2-methyloctan-2-yl)-1-N-(7-methyloctyl)hexanedihydrazide

6-N-(8-amino-2-methyloctan-2-yl)-1-N-(7-methyloctyl)hexanedihydrazide (PubChem CID 143623930) has the molecular formula C24H51N5O2 and a molecular weight of 441.71 g/mol. Its IUPAC name is 6-N-(8-amino-2-methyloctan-2-yl)-1-N-(7-methyloctyl)hexanedihydrazide.

Molecular Properties

Compound Name6-N-(8-amino-2-methyloctan-2-yl)-1-N-(7-methyloctyl)hexanedihydrazide
PubChem CID143623930
Molecular FormulaC24H51N5O2
Molecular Weight441.71 g/mol
Exact Mass441.40
IUPAC Name6-N-(8-amino-2-methyloctan-2-yl)-1-N-(7-methyloctyl)hexanedihydrazide
SMILESCC(C)CCCCCCN(N)C(=O)CCCCC(=O)N(N)C(C)(C)CCCCCCN
InChIInChI=1S/C24H51N5O2/c1-21(2)15-9-5-8-14-20-28(26)22(30)16-10-11-17-23(31)29(27)24(3,4)18-12-6-7-13-19-25/h21H,5-20,25-27H2,1-4H3
InChIKeyKZLLCWJVFWJZED-UHFFFAOYSA-N
XLogP4.25
TPSA118.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.71
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride
CID 11188780
7-amino-N-methyl-N-(2-methylpropyl)heptanamide
CID 43272143
6-amino-N-cyclopropyl-N-(3-methylbutyl)hexanamide
CID 54870672
36-methylheptatriacontan-1-amine
CID 134324173
7-amino-N-(5-hydroxypentyl)-N-methylheptanamide
CID 107199281
N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide
CID 115272569
6-amino-N-propan-2-yl-N-propylhexanamide
CID 43269620
18-methylnonadecan-1-amine;hydrochloride
CID 173047380
N,N-bis(2-hydroxyethyl)-7-methyloctanamide
CID 54230939
7,7,14-trimethylpentadecanoic acid
CID 91490028
5-amino-N-(2-methylpropyl)-N-propan-2-ylpentanamide
CID 23588366
6,6-dimethylheptanoic acid;7-methyloctanoic acid
CID 158485923

Frequently Asked Questions

What is the IUPAC name of 6-N-(8-amino-2-methyloctan-2-yl)-1-N-(7-methyloctyl)hexanedihydrazide?
The IUPAC name of 6-N-(8-amino-2-methyloctan-2-yl)-1-N-(7-methyloctyl)hexanedihydrazide (CID 143623930) is 6-N-(8-amino-2-methyloctan-2-yl)-1-N-(7-methyloctyl)hexanedihydrazide.
What is the SMILES notation for 6-N-(8-amino-2-methyloctan-2-yl)-1-N-(7-methyloctyl)hexanedihydrazide?
The canonical SMILES for 6-N-(8-amino-2-methyloctan-2-yl)-1-N-(7-methyloctyl)hexanedihydrazide is CC(C)CCCCCCN(N)C(=O)CCCCC(=O)N(N)C(C)(C)CCCCCCN.
What is the InChIKey of 6-N-(8-amino-2-methyloctan-2-yl)-1-N-(7-methyloctyl)hexanedihydrazide?
The InChIKey is KZLLCWJVFWJZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N5O2/c1-21(2)15-9-5-8-14-20-28(26)22(30)16-10-11-17-23(31)29(27)24(3,4)18-12-6-7-13-19-25/h21H,5-20,25-27H2,1-4H3.
What are the key properties of 6-N-(8-amino-2-methyloctan-2-yl)-1-N-(7-methyloctyl)hexanedihydrazide?
6-N-(8-amino-2-methyloctan-2-yl)-1-N-(7-methyloctyl)hexanedihydrazide has a molecular weight of 441.71 g/mol, XLogP of 4.25, 19 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(8-amino-2-methyloctan-2-yl)-1-N-(7-methyloctyl)hexanedihydrazide is sourced from PubChem (CID 143623930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).