2-benzylguanidine;bis(tricyclohexylphosphane)

C44H77N3P2 — CID 158132606

IUPAC2-benzylguanidine;bis(tricyclohexylphosphane)
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.NC(N)=NCc1ccccc1
InChIInChI=1S/2C18H33P.C8H11N3/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-8(10)11-6-7-4-2-1-3-5-7/h2*16-18H,1-15H2;1-5H,6H2,(H4,9,10,11)
InChIKeyFSYRTWFOUQIZEN-UHFFFAOYSA-N
MW710.07 g/mol
LogP13.39
Rot. Bonds8

About 2-benzylguanidine;bis(tricyclohexylphosphane)

2-benzylguanidine;bis(tricyclohexylphosphane) (PubChem CID 158132606) has the molecular formula C44H77N3P2 and a molecular weight of 710.07 g/mol. Its IUPAC name is 2-benzylguanidine;bis(tricyclohexylphosphane).

Molecular Properties

Compound Name2-benzylguanidine;bis(tricyclohexylphosphane)
PubChem CID158132606
Molecular FormulaC44H77N3P2
Molecular Weight710.07 g/mol
Exact Mass709.56
IUPAC Name2-benzylguanidine;bis(tricyclohexylphosphane)
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.NC(N)=NCc1ccccc1
InChIInChI=1S/2C18H33P.C8H11N3/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-8(10)11-6-7-4-2-1-3-5-7/h2*16-18H,1-15H2;1-5H,6H2,(H4,9,10,11)
InChIKeyFSYRTWFOUQIZEN-UHFFFAOYSA-N
XLogP13.39
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.07
LogP ≤ 513.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-benzylpropan-2-imine;nickel;tetraphenylboranuide;bis(tricyclohexylphosphane)
CID 10898442
cyclopentyl-[3-[(diaminomethylideneamino)methyl]phenyl]tin
CID 142886126
2-[(4-cyclohexyloxyphenyl)methyl]guanidine
CID 110917755
2-benzylimino-2-cyclopentylethanamine
CID 144840714
2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride
CID 53308012
2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine
CID 130567942
1-(N-benzyl-C-cyclopentylcarbonimidoyl)cyclopropan-1-amine
CID 139541808
N'-benzyl-N-(diaminomethylidene)azepane-1-carboximidamide
CID 71515196
N'-benzyl-2-hydroxyethanimidamide
CID 90668671
(R)-benzyl-cyclohexyl-methylphosphane
CID 15419907
2-benzyl-1-(thian-2-ylmethyl)guanidine
CID 130166828
2-benzyl-1-[2-(hydroxymethyl)cyclopentyl]guanidine
CID 130557243

Frequently Asked Questions

What is the IUPAC name of 2-benzylguanidine;bis(tricyclohexylphosphane)?
The IUPAC name of 2-benzylguanidine;bis(tricyclohexylphosphane) (CID 158132606) is 2-benzylguanidine;bis(tricyclohexylphosphane).
What is the SMILES notation for 2-benzylguanidine;bis(tricyclohexylphosphane)?
The canonical SMILES for 2-benzylguanidine;bis(tricyclohexylphosphane) is C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.NC(N)=NCc1ccccc1.
What is the InChIKey of 2-benzylguanidine;bis(tricyclohexylphosphane)?
The InChIKey is FSYRTWFOUQIZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H33P.C8H11N3/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-8(10)11-6-7-4-2-1-3-5-7/h2*16-18H,1-15H2;1-5H,6H2,(H4,9,10,11).
What are the key properties of 2-benzylguanidine;bis(tricyclohexylphosphane)?
2-benzylguanidine;bis(tricyclohexylphosphane) has a molecular weight of 710.07 g/mol, XLogP of 13.39, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylguanidine;bis(tricyclohexylphosphane) is sourced from PubChem (CID 158132606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).