2-benzyl-1-(2,3-dimethylcyclohexyl)guanidine

C16H25N3 — CID 130158509

IUPAC2-benzyl-1-(2,3-dimethylcyclohexyl)guanidine
SMILESCC1CCCC(N/C(N)=N/Cc2ccccc2)C1C
InChIInChI=1S/C16H25N3/c1-12-7-6-10-15(13(12)2)19-16(17)18-11-14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3,(H3,17,18,19)
InChIKeyXTJBCJYCAXBWID-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.92
Rot. Bonds3

About 2-benzyl-1-(2,3-dimethylcyclohexyl)guanidine

2-benzyl-1-(2,3-dimethylcyclohexyl)guanidine (PubChem CID 130158509) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-benzyl-1-(2,3-dimethylcyclohexyl)guanidine.

Molecular Properties

Compound Name2-benzyl-1-(2,3-dimethylcyclohexyl)guanidine
PubChem CID130158509
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-benzyl-1-(2,3-dimethylcyclohexyl)guanidine
SMILESCC1CCCC(N/C(N)=N/Cc2ccccc2)C1C
InChIInChI=1S/C16H25N3/c1-12-7-6-10-15(13(12)2)19-16(17)18-11-14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3,(H3,17,18,19)
InChIKeyXTJBCJYCAXBWID-UHFFFAOYSA-N
XLogP2.92
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.92
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'}

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Related Compounds

2-benzyl-1-[2-(hydroxymethyl)cyclopentyl]guanidine
CID 130557243
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 98681861
(3R)-1-benzyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 129419133
2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine
CID 130567942
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11934678
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 11934981
N-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185707
(2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 102613768
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 38706195
1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-(3-phenylpropanoylamino)thiourea
CID 11946125
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-benzoylbenzoate
CID 11890165
2-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]benzoic acid
CID 115923821

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(2,3-dimethylcyclohexyl)guanidine?
The IUPAC name of 2-benzyl-1-(2,3-dimethylcyclohexyl)guanidine (CID 130158509) is 2-benzyl-1-(2,3-dimethylcyclohexyl)guanidine.
What is the SMILES notation for 2-benzyl-1-(2,3-dimethylcyclohexyl)guanidine?
The canonical SMILES for 2-benzyl-1-(2,3-dimethylcyclohexyl)guanidine is CC1CCCC(N/C(N)=N/Cc2ccccc2)C1C.
What is the InChIKey of 2-benzyl-1-(2,3-dimethylcyclohexyl)guanidine?
The InChIKey is XTJBCJYCAXBWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12-7-6-10-15(13(12)2)19-16(17)18-11-14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3,(H3,17,18,19).
What are the key properties of 2-benzyl-1-(2,3-dimethylcyclohexyl)guanidine?
2-benzyl-1-(2,3-dimethylcyclohexyl)guanidine has a molecular weight of 259.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(2,3-dimethylcyclohexyl)guanidine is sourced from PubChem (CID 130158509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).