chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine

C14H25ClN6 — CID 176532079

IUPACchlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine
SMILESClc1ccccc1.[H]/N=C(\N)NCCCCCCN=C(N)N
InChIInChI=1S/C8H20N6.C6H5Cl/c9-7(10)13-5-3-1-2-4-6-14-8(11)12;7-6-4-2-1-3-5-6/h1-6H2,(H4,9,10,13)(H4,11,12,14);1-5H
InChIKeyFASRGTUWYULFIJ-UHFFFAOYSA-N
MW312.85 g/mol
LogP1.64
Rot. Bonds7

About chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine

chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine (PubChem CID 176532079) has the molecular formula C14H25ClN6 and a molecular weight of 312.85 g/mol. Its IUPAC name is chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine.

Molecular Properties

Compound Namechlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine
PubChem CID176532079
Molecular FormulaC14H25ClN6
Molecular Weight312.85 g/mol
Exact Mass312.18
IUPAC Namechlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine
SMILESClc1ccccc1.[H]/N=C(\N)NCCCCCCN=C(N)N
InChIInChI=1S/C8H20N6.C6H5Cl/c9-7(10)13-5-3-1-2-4-6-14-8(11)12;7-6-4-2-1-3-5-6/h1-6H2,(H4,9,10,13)(H4,11,12,14);1-5H
InChIKeyFASRGTUWYULFIJ-UHFFFAOYSA-N
XLogP1.64
TPSA126.30 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 51.64
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

1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride
CID 176518301
1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride
CID 176533607
1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine
CID 176522885
1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid
CID 176530052
CID 176532250
CID 176532250
1-[8-[8-(diaminomethylideneamino)octylamino]octyl]guanidine;tris(2-prop-2-enylbenzenesulfonic acid)
CID 176528703
1-(9-carbamimidamidononyl)guanidine
CID 176533990
N-[5-(diaminomethylideneamino)pentyl]benzamide
CID 21298945
1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine
CID 176524133
2-(6-carbamimidamidohexyl)-1-cyanoguanidine
CID 176546132
1-carbamimidoylguanidine;chlorobenzene;piperazine
CID 176529495
1-N'-benzyl-1-N-[4-(diaminomethylideneamino)butyl]cyclobutane-1,1-dicarboxamide
CID 70271375

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine?
The IUPAC name of chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine (CID 176532079) is chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine.
What is the SMILES notation for chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine?
The canonical SMILES for chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine is Clc1ccccc1.[H]/N=C(\N)NCCCCCCN=C(N)N.
What is the InChIKey of chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine?
The InChIKey is FASRGTUWYULFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N6.C6H5Cl/c9-7(10)13-5-3-1-2-4-6-14-8(11)12;7-6-4-2-1-3-5-6/h1-6H2,(H4,9,10,13)(H4,11,12,14);1-5H.
What are the key properties of chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine?
chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine has a molecular weight of 312.85 g/mol, XLogP of 1.64, 7 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine is sourced from PubChem (CID 176532079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).