1-(diaminomethylidene)-2-heptylguanidine;hydrochloride

C9H22ClN5 — CID 71332603

IUPAC1-(diaminomethylidene)-2-heptylguanidine;hydrochloride
SMILESCCCCCCC/N=C(\N)N=C(N)N.Cl
InChIInChI=1S/C9H21N5.ClH/c1-2-3-4-5-6-7-13-9(12)14-8(10)11;/h2-7H2,1H3,(H6,10,11,12,13,14);1H
InChIKeyCRJALOTYDMDZLY-UHFFFAOYSA-N
MW235.76 g/mol
LogP0.97
Rot. Bonds6

About 1-(diaminomethylidene)-2-heptylguanidine;hydrochloride

1-(diaminomethylidene)-2-heptylguanidine;hydrochloride (PubChem CID 71332603) has the molecular formula C9H22ClN5 and a molecular weight of 235.76 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-heptylguanidine;hydrochloride.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-heptylguanidine;hydrochloride
PubChem CID71332603
Molecular FormulaC9H22ClN5
Molecular Weight235.76 g/mol
Exact Mass235.16
IUPAC Name1-(diaminomethylidene)-2-heptylguanidine;hydrochloride
SMILESCCCCCCC/N=C(\N)N=C(N)N.Cl
InChIInChI=1S/C9H21N5.ClH/c1-2-3-4-5-6-7-13-9(12)14-8(10)11;/h2-7H2,1H3,(H6,10,11,12,13,14);1H
InChIKeyCRJALOTYDMDZLY-UHFFFAOYSA-N
XLogP0.97
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine
CID 22639468
2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine
CID 22639457
2-[6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl]-1-(diaminomethylidene)guanidine
CID 516375
N'-hexylpropanimidamide
CID 62048653
oxalic acid;2-tetradecylguanidine
CID 88685065
N'-dodecyl-2-hydroxyethanimidamide
CID 90353251
1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
CID 90672033
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-hexylguanidine;hydrochloride
CID 45260161
1-benzyl-1-methyl-2-(N'-nonylcarbamimidoyl)guanidine;dihydrochloride
CID 86657179
N'-pentylpropanimidamide
CID 62047571
ethyl 4-[[amino-(diaminomethylideneamino)methylidene]amino]butanoate
CID 83034898

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-heptylguanidine;hydrochloride?
The IUPAC name of 1-(diaminomethylidene)-2-heptylguanidine;hydrochloride (CID 71332603) is 1-(diaminomethylidene)-2-heptylguanidine;hydrochloride.
What is the SMILES notation for 1-(diaminomethylidene)-2-heptylguanidine;hydrochloride?
The canonical SMILES for 1-(diaminomethylidene)-2-heptylguanidine;hydrochloride is CCCCCCC/N=C(\N)N=C(N)N.Cl.
What is the InChIKey of 1-(diaminomethylidene)-2-heptylguanidine;hydrochloride?
The InChIKey is CRJALOTYDMDZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5.ClH/c1-2-3-4-5-6-7-13-9(12)14-8(10)11;/h2-7H2,1H3,(H6,10,11,12,13,14);1H.
What are the key properties of 1-(diaminomethylidene)-2-heptylguanidine;hydrochloride?
1-(diaminomethylidene)-2-heptylguanidine;hydrochloride has a molecular weight of 235.76 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-heptylguanidine;hydrochloride is sourced from PubChem (CID 71332603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).