bis[8-(diaminomethylideneamino)octyl]azanium

C18H42N7+ — CID 22618664

IUPACbis[8-(diaminomethylideneamino)octyl]azanium
SMILESNC(N)=NCCCCCCCC[NH2+]CCCCCCCCN=C(N)N
InChIInChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)/p+1
InChIKeyRONFGUROBZGJKP-UHFFFAOYSA-O
MW356.58 g/mol
LogP0.78
Rot. Bonds18

About bis[8-(diaminomethylideneamino)octyl]azanium

bis[8-(diaminomethylideneamino)octyl]azanium (PubChem CID 22618664) has the molecular formula C18H42N7+ and a molecular weight of 356.58 g/mol. Its IUPAC name is bis[8-(diaminomethylideneamino)octyl]azanium.

Molecular Properties

Compound Namebis[8-(diaminomethylideneamino)octyl]azanium
PubChem CID22618664
Molecular FormulaC18H42N7+
Molecular Weight356.58 g/mol
Exact Mass356.35
IUPAC Namebis[8-(diaminomethylideneamino)octyl]azanium
SMILESNC(N)=NCCCCCCCC[NH2+]CCCCCCCCN=C(N)N
InChIInChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)/p+1
InChIKeyRONFGUROBZGJKP-UHFFFAOYSA-O
XLogP0.78
TPSA145.41 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 50.78
H-Bond Donors ≤ 55
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'}

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Related Compounds

2-(4-aminobutyl)guanidine
CID 22560045
2-(4-iodobutyl)guanidine
CID 155000477
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
2-(6-methylsulfanylhexyl)guanidine
CID 59806974
2-[(5S)-5-butyldodecyl]guanidine
CID 155411805
2-(4-butyloctyl)guanidine
CID 167172231
2-(3-hydroxypropyl)guanidine;hydrochloride
CID 118321819
2-[7-(ethylamino)heptyl]guanidine
CID 10104259
acetic acid;2-(22-aminodocosyl)guanidine
CID 172684363
oxalic acid;2-tetradecylguanidine
CID 88685065
ethane;2-(4-methylpentyl)guanidine
CID 170602256
2-(4-cyanobutyl)guanidine
CID 131086878

Frequently Asked Questions

What is the IUPAC name of bis[8-(diaminomethylideneamino)octyl]azanium?
The IUPAC name of bis[8-(diaminomethylideneamino)octyl]azanium (CID 22618664) is bis[8-(diaminomethylideneamino)octyl]azanium.
What is the SMILES notation for bis[8-(diaminomethylideneamino)octyl]azanium?
The canonical SMILES for bis[8-(diaminomethylideneamino)octyl]azanium is NC(N)=NCCCCCCCC[NH2+]CCCCCCCCN=C(N)N.
What is the InChIKey of bis[8-(diaminomethylideneamino)octyl]azanium?
The InChIKey is RONFGUROBZGJKP-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)/p+1.
What are the key properties of bis[8-(diaminomethylideneamino)octyl]azanium?
bis[8-(diaminomethylideneamino)octyl]azanium has a molecular weight of 356.58 g/mol, XLogP of 0.78, 18 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[8-(diaminomethylideneamino)octyl]azanium is sourced from PubChem (CID 22618664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).