1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine

C38H73N7 — CID 176523791

IUPAC1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine
SMILESC(CCCNCCCCCCN/C(=N\C1CCCCC1)NC1CCCCC1)CCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C38H73N7/c1(3-19-31-40-37(42-33-21-9-5-10-22-33)43-34-23-11-6-12-24-34)17-29-39-30-18-2-4-20-32-41-38(44-35-25-13-7-14-26-35)45-36-27-15-8-16-28-36/h33-36,39H,1-32H2,(H2,40,42,43)(H2,41,44,45)
InChIKeyFUTUOGIRJUAPFE-UHFFFAOYSA-N
MW628.05 g/mol
LogP8.10
Rot. Bonds18

About 1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine

1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine (PubChem CID 176523791) has the molecular formula C38H73N7 and a molecular weight of 628.05 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine.

Molecular Properties

Compound Name1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine
PubChem CID176523791
Molecular FormulaC38H73N7
Molecular Weight628.05 g/mol
Exact Mass627.59
IUPAC Name1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine
SMILESC(CCCNCCCCCCN/C(=N\C1CCCCC1)NC1CCCCC1)CCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C38H73N7/c1(3-19-31-40-37(42-33-21-9-5-10-22-33)43-34-23-11-6-12-24-34)17-29-39-30-18-2-4-20-32-41-38(44-35-25-13-7-14-26-35)45-36-27-15-8-16-28-36/h33-36,39H,1-32H2,(H2,40,42,43)(H2,41,44,45)
InChIKeyFUTUOGIRJUAPFE-UHFFFAOYSA-N
XLogP8.10
TPSA84.87 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.05
LogP ≤ 58.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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-[3-[bis(cyclohexylamino)methylideneamino]propyl]-1,3-dicyclohexylguanidine
CID 20762626
1,3-dicyclohexyl-2-[5-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-methylpentyl]guanidine
CID 176525069
1,3-dicyclohexyl-2-octylguanidine;hydrochloride
CID 14771737
1,3-dicyclohexyl-2-pentylguanidine
CID 118030780
1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine
CID 122691164
1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine
CID 129246032
1-hydroxypropan-2-yl N-[3-[bis(cyclohexylamino)methylideneamino]propyl]carbamate
CID 134346392
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine
CID 110051728
1-amino-3-cyclobutyl-2-cyclohexylguanidine
CID 104882648
1,3-dicyclohexyl-2-[6-(prop-1-en-2-yloxymethoxy)hexyl]guanidine
CID 22974457
1-cyclohexyl-3-[5-(cyclohexylcarbamothioylamino)pentyl]thiourea
CID 131972523
butan-1-amine;2-butyl-1,3-dicyclohexylguanidine;N,N'-dicyclohexylmethanediimine
CID 169432043

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine?
The IUPAC name of 1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine (CID 176523791) is 1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine.
What is the SMILES notation for 1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine?
The canonical SMILES for 1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine is C(CCCNCCCCCCN/C(=N\C1CCCCC1)NC1CCCCC1)CCN=C(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine?
The InChIKey is FUTUOGIRJUAPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H73N7/c1(3-19-31-40-37(42-33-21-9-5-10-22-33)43-34-23-11-6-12-24-34)17-29-39-30-18-2-4-20-32-41-38(44-35-25-13-7-14-26-35)45-36-27-15-8-16-28-36/h33-36,39H,1-32H2,(H2,40,42,43)(H2,41,44,45).
What are the key properties of 1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine?
1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine has a molecular weight of 628.05 g/mol, XLogP of 8.10, 18 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine is sourced from PubChem (CID 176523791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).