1-N',18-N,18-N,18-N'-tetramethyloctadecanediimidamide

C22H46N4 — CID 87184350

IUPAC1-N',18-N,18-N,18-N'-tetramethyloctadecanediimidamide
SMILESC/N=C(\N)CCCCCCCCCCCCCCCC/C(=N\C)N(C)C
InChIInChI=1S/C22H46N4/c1-24-21(23)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22(25-2)26(3)4/h5-20H2,1-4H3,(H2,23,24)/b25-22+
InChIKeyNDRIWWWTBROLMB-YYDJUVGSSA-N
MW366.64 g/mol
LogP5.80
Rot. Bonds17

About 1-N',18-N,18-N,18-N'-tetramethyloctadecanediimidamide

1-N',18-N,18-N,18-N'-tetramethyloctadecanediimidamide (PubChem CID 87184350) has the molecular formula C22H46N4 and a molecular weight of 366.64 g/mol. Its IUPAC name is 1-N',18-N,18-N,18-N'-tetramethyloctadecanediimidamide.

Molecular Properties

Compound Name1-N',18-N,18-N,18-N'-tetramethyloctadecanediimidamide
PubChem CID87184350
Molecular FormulaC22H46N4
Molecular Weight366.64 g/mol
Exact Mass366.37
IUPAC Name1-N',18-N,18-N,18-N'-tetramethyloctadecanediimidamide
SMILESC/N=C(\N)CCCCCCCCCCCCCCCC/C(=N\C)N(C)C
InChIInChI=1S/C22H46N4/c1-24-21(23)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22(25-2)26(3)4/h5-20H2,1-4H3,(H2,23,24)/b25-22+
InChIKeyNDRIWWWTBROLMB-YYDJUVGSSA-N
XLogP5.80
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.64
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-N',18-N,18-N,18-N'-tetramethyloctadecanediimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-4-methyliminobutyl)-trimethylazanium
CID 158143123
N',5,5-trimethylhexanimidamide
CID 59463982
1-N',10-N'-diaminodecanediimidamide
CID 6003047
1-N',14-N'-diethyltetradecanediimidamide
CID 45484696
4-amino-4-methyliminobutanamide
CID 87596187
N,N-dimethyl-N'-sulfamoylhexanimidamide
CID 126717465
1-N',14-N'-bis(1-hydroxyethyl)tetradecanediimidamide
CID 141081453
4-(dimethylamino)-N'-hydroxybutanimidamide
CID 74314081
N'-aminononanimidamide
CID 4100069
N,N'-diamino-N-methylheptanimidamide
CID 155689809
N'-[amino(methyl)amino]pentanimidamide
CID 144800598
5-[ethyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374551

Frequently Asked Questions

What is the IUPAC name of 1-N',18-N,18-N,18-N'-tetramethyloctadecanediimidamide?
The IUPAC name of 1-N',18-N,18-N,18-N'-tetramethyloctadecanediimidamide (CID 87184350) is 1-N',18-N,18-N,18-N'-tetramethyloctadecanediimidamide.
What is the SMILES notation for 1-N',18-N,18-N,18-N'-tetramethyloctadecanediimidamide?
The canonical SMILES for 1-N',18-N,18-N,18-N'-tetramethyloctadecanediimidamide is C/N=C(\N)CCCCCCCCCCCCCCCC/C(=N\C)N(C)C.
What is the InChIKey of 1-N',18-N,18-N,18-N'-tetramethyloctadecanediimidamide?
The InChIKey is NDRIWWWTBROLMB-YYDJUVGSSA-N. The full InChI is InChI=1S/C22H46N4/c1-24-21(23)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22(25-2)26(3)4/h5-20H2,1-4H3,(H2,23,24)/b25-22+.
What are the key properties of 1-N',18-N,18-N,18-N'-tetramethyloctadecanediimidamide?
1-N',18-N,18-N,18-N'-tetramethyloctadecanediimidamide has a molecular weight of 366.64 g/mol, XLogP of 5.80, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',18-N,18-N,18-N'-tetramethyloctadecanediimidamide is sourced from PubChem (CID 87184350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).