1,3-dicyclohexyl-2-[5-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-methylpentyl]guanidine

C32H60N6 — CID 176525069

IUPAC1,3-dicyclohexyl-2-[5-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-methylpentyl]guanidine
SMILESCC(CCCN/C(=N\C1CCCCC1)NC1CCCCC1)CN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C32H60N6/c1-26(25-34-32(37-29-20-10-4-11-21-29)38-30-22-12-5-13-23-30)15-14-24-33-31(35-27-16-6-2-7-17-27)36-28-18-8-3-9-19-28/h26-30H,2-25H2,1H3,(H2,33,35,36)(H2,34,37,38)
InChIKeyGTRBSYMUVSRLLP-UHFFFAOYSA-N
MW528.87 g/mol
LogP6.80
Rot. Bonds10

About 1,3-dicyclohexyl-2-[5-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-methylpentyl]guanidine

1,3-dicyclohexyl-2-[5-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-methylpentyl]guanidine (PubChem CID 176525069) has the molecular formula C32H60N6 and a molecular weight of 528.87 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2-[5-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-methylpentyl]guanidine.

Molecular Properties

Compound Name1,3-dicyclohexyl-2-[5-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-methylpentyl]guanidine
PubChem CID176525069
Molecular FormulaC32H60N6
Molecular Weight528.87 g/mol
Exact Mass528.49
IUPAC Name1,3-dicyclohexyl-2-[5-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-methylpentyl]guanidine
SMILESCC(CCCN/C(=N\C1CCCCC1)NC1CCCCC1)CN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C32H60N6/c1-26(25-34-32(37-29-20-10-4-11-21-29)38-30-22-12-5-13-23-30)15-14-24-33-31(35-27-16-6-2-7-17-27)36-28-18-8-3-9-19-28/h26-30H,2-25H2,1H3,(H2,33,35,36)(H2,34,37,38)
InChIKeyGTRBSYMUVSRLLP-UHFFFAOYSA-N
XLogP6.80
TPSA72.84 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.87
LogP ≤ 56.80
H-Bond Donors ≤ 54
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

1,3-dicyclohexyl-2-[6-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]hexylamino]hexyl]guanidine
CID 176523791
1,3-dicyclohexyl-2-(2-hydroxypropyl)guanidine
CID 118456420
1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine
CID 122691193
1-hydroxypropan-2-yl N-[3-[bis(cyclohexylamino)methylideneamino]propyl]carbamate
CID 134346392
1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea
CID 103860224
2-[3-[bis(cyclohexylamino)methylideneamino]propyl]-1,3-dicyclohexylguanidine
CID 20762626
1-cyclohexyl-3-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]guanidine;hydroiodide
CID 111546712
1-amino-3-cyclobutyl-2-cyclohexylguanidine
CID 104882648
N-cyclohexyl-2-[(5-hydroxy-4-methylpentyl)amino]propanamide
CID 106160233
1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine
CID 122691164
N-cyclohexyl-3-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]propanamide
CID 111179178
propan-2-yl N,N'-dicyclohexylcarbamimidate
CID 10945389

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-2-[5-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-methylpentyl]guanidine?
The IUPAC name of 1,3-dicyclohexyl-2-[5-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-methylpentyl]guanidine (CID 176525069) is 1,3-dicyclohexyl-2-[5-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-methylpentyl]guanidine.
What is the SMILES notation for 1,3-dicyclohexyl-2-[5-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-methylpentyl]guanidine?
The canonical SMILES for 1,3-dicyclohexyl-2-[5-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-methylpentyl]guanidine is CC(CCCN/C(=N\C1CCCCC1)NC1CCCCC1)CN=C(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-2-[5-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-methylpentyl]guanidine?
The InChIKey is GTRBSYMUVSRLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60N6/c1-26(25-34-32(37-29-20-10-4-11-21-29)38-30-22-12-5-13-23-30)15-14-24-33-31(35-27-16-6-2-7-17-27)36-28-18-8-3-9-19-28/h26-30H,2-25H2,1H3,(H2,33,35,36)(H2,34,37,38).
What are the key properties of 1,3-dicyclohexyl-2-[5-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-methylpentyl]guanidine?
1,3-dicyclohexyl-2-[5-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-methylpentyl]guanidine has a molecular weight of 528.87 g/mol, XLogP of 6.80, 10 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-2-[5-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-methylpentyl]guanidine is sourced from PubChem (CID 176525069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).