1-(N'-hexylcarbamimidoyl)-2-propylguanidine;hydrochloride

C11H26ClN5 — CID 53307316

IUPAC1-(N'-hexylcarbamimidoyl)-2-propylguanidine;hydrochloride
SMILESCCCCCC/N=C(\N)N/C(N)=N/CCC.Cl
InChIInChI=1S/C11H25N5.ClH/c1-3-5-6-7-9-15-11(13)16-10(12)14-8-4-2;/h3-9H2,1-2H3,(H5,12,13,14,15,16);1H
InChIKeyZDOAWHLZQPGUFT-UHFFFAOYSA-N
MW263.82 g/mol
LogP1.62
Rot. Bonds7

About 1-(N'-hexylcarbamimidoyl)-2-propylguanidine;hydrochloride

1-(N'-hexylcarbamimidoyl)-2-propylguanidine;hydrochloride (PubChem CID 53307316) has the molecular formula C11H26ClN5 and a molecular weight of 263.82 g/mol. Its IUPAC name is 1-(N'-hexylcarbamimidoyl)-2-propylguanidine;hydrochloride.

Molecular Properties

Compound Name1-(N'-hexylcarbamimidoyl)-2-propylguanidine;hydrochloride
PubChem CID53307316
Molecular FormulaC11H26ClN5
Molecular Weight263.82 g/mol
Exact Mass263.19
IUPAC Name1-(N'-hexylcarbamimidoyl)-2-propylguanidine;hydrochloride
SMILESCCCCCC/N=C(\N)N/C(N)=N/CCC.Cl
InChIInChI=1S/C11H25N5.ClH/c1-3-5-6-7-9-15-11(13)16-10(12)14-8-4-2;/h3-9H2,1-2H3,(H5,12,13,14,15,16);1H
InChIKeyZDOAWHLZQPGUFT-UHFFFAOYSA-N
XLogP1.62
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.82
LogP ≤ 51.62
H-Bond Donors ≤ 53
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

1,6-Di(cyanoguanidino)hexane
CID 85172
N,N'''-1,6-Hexanediylbisguanidine dihydrochloride
CID 75422421
1-[N'-[6-[[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]amino]hexyl]carbamimidoyl]-2-heptylguanidine;hydrochloride
CID 90672031
1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine;hydrochloride
CID 90672032
1-[N'-[6-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]hexyl]carbamimidoyl]-2-hexylguanidine;hydrochloride
CID 90672034
N-Hexylimidodicarbonimidic diamide
CID 20977
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine;hydrochloride
CID 90672024
1-[N'-[6-[[amino-[(N'-octylcarbamimidoyl)amino]methylidene]amino]hexyl]carbamimidoyl]-2-octylguanidine;hydrochloride
CID 90672026
1-[N'-[8-[[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-heptylguanidine;hydrochloride
CID 90672027
1-[N'-[10-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]decyl]carbamimidoyl]-2-hexylguanidine;hydrochloride
CID 90672029
1,6-Diguanidinohexane
CID 23819
1-(Diaminomethylidene)-2-hexylguanidine,hydrochloride
CID 24196101

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hexylcarbamimidoyl)-2-propylguanidine;hydrochloride?
The IUPAC name of 1-(N'-hexylcarbamimidoyl)-2-propylguanidine;hydrochloride (CID 53307316) is 1-(N'-hexylcarbamimidoyl)-2-propylguanidine;hydrochloride.
What is the SMILES notation for 1-(N'-hexylcarbamimidoyl)-2-propylguanidine;hydrochloride?
The canonical SMILES for 1-(N'-hexylcarbamimidoyl)-2-propylguanidine;hydrochloride is CCCCCC/N=C(\N)N/C(N)=N/CCC.Cl.
What is the InChIKey of 1-(N'-hexylcarbamimidoyl)-2-propylguanidine;hydrochloride?
The InChIKey is ZDOAWHLZQPGUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5.ClH/c1-3-5-6-7-9-15-11(13)16-10(12)14-8-4-2;/h3-9H2,1-2H3,(H5,12,13,14,15,16);1H.
What are the key properties of 1-(N'-hexylcarbamimidoyl)-2-propylguanidine;hydrochloride?
1-(N'-hexylcarbamimidoyl)-2-propylguanidine;hydrochloride has a molecular weight of 263.82 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hexylcarbamimidoyl)-2-propylguanidine;hydrochloride is sourced from PubChem (CID 53307316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).