2-[[(1R)-cyclohex-3-en-1-yl]methyl]-1,1,3,3-tetramethylguanidine

C12H23N3 — CID 99846006

IUPAC2-[[(1R)-cyclohex-3-en-1-yl]methyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NC[C@H]1CC=CCC1)N(C)C
InChIInChI=1S/C12H23N3/c1-14(2)12(15(3)4)13-10-11-8-6-5-7-9-11/h5-6,11H,7-10H2,1-4H3/t11-/m0/s1
InChIKeySGJOCDJRJCNMTB-NSHDSACASA-N
MW209.34 g/mol
LogP1.82
Rot. Bonds2

About 2-[[(1R)-cyclohex-3-en-1-yl]methyl]-1,1,3,3-tetramethylguanidine

2-[[(1R)-cyclohex-3-en-1-yl]methyl]-1,1,3,3-tetramethylguanidine (PubChem CID 99846006) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-[[(1R)-cyclohex-3-en-1-yl]methyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[[(1R)-cyclohex-3-en-1-yl]methyl]-1,1,3,3-tetramethylguanidine
PubChem CID99846006
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-[[(1R)-cyclohex-3-en-1-yl]methyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NC[C@H]1CC=CCC1)N(C)C
InChIInChI=1S/C12H23N3/c1-14(2)12(15(3)4)13-10-11-8-6-5-7-9-11/h5-6,11H,7-10H2,1-4H3/t11-/m0/s1
InChIKeySGJOCDJRJCNMTB-NSHDSACASA-N
XLogP1.82
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.82
H-Bond Donors ≤ 50
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[(1S)-cyclohex-3-en-1-yl]methyl]-1,1,3,3-tetramethylguanidine
CID 99846005
4-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 21027228
2-(Cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine;hydroiodide
CID 75493990
2-(Cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine
CID 75493991
2-(Cyclohex-3-en-1-ylmethyl)-1,1,3,3-tetramethylguanidine;hydroiodide
CID 86777332
2-(Cyclohex-3-en-1-ylmethyl)-1,1,3,3-tetramethylguanidine
CID 86777333

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-cyclohex-3-en-1-yl]methyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[[(1R)-cyclohex-3-en-1-yl]methyl]-1,1,3,3-tetramethylguanidine (CID 99846006) is 2-[[(1R)-cyclohex-3-en-1-yl]methyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[[(1R)-cyclohex-3-en-1-yl]methyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[[(1R)-cyclohex-3-en-1-yl]methyl]-1,1,3,3-tetramethylguanidine is CN(C)C(=NC[C@H]1CC=CCC1)N(C)C.
What is the InChIKey of 2-[[(1R)-cyclohex-3-en-1-yl]methyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is SGJOCDJRJCNMTB-NSHDSACASA-N. The full InChI is InChI=1S/C12H23N3/c1-14(2)12(15(3)4)13-10-11-8-6-5-7-9-11/h5-6,11H,7-10H2,1-4H3/t11-/m0/s1.
What are the key properties of 2-[[(1R)-cyclohex-3-en-1-yl]methyl]-1,1,3,3-tetramethylguanidine?
2-[[(1R)-cyclohex-3-en-1-yl]methyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 209.34 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-cyclohex-3-en-1-yl]methyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 99846006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).