2-(cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine

C12H23N3 — CID 75493991

IUPAC2-(cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine
SMILESCCN(CC)/C(N)=N/CC1CC=CCC1
InChIInChI=1S/C12H23N3/c1-3-15(4-2)12(13)14-10-11-8-6-5-7-9-11/h5-6,11H,3-4,7-10H2,1-2H3,(H2,13,14)
InChIKeyLGELXMXRMVGZLW-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.00
Rot. Bonds4

About 2-(cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine

2-(cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine (PubChem CID 75493991) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine
PubChem CID75493991
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-(cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine
SMILESCCN(CC)/C(N)=N/CC1CC=CCC1
InChIInChI=1S/C12H23N3/c1-3-15(4-2)12(13)14-10-11-8-6-5-7-9-11/h5-6,11H,3-4,7-10H2,1-2H3,(H2,13,14)
InChIKeyLGELXMXRMVGZLW-UHFFFAOYSA-N
XLogP2.00
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
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

N'-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-1-carboximidamide
CID 97784530
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
1-[(Z,3S)-8-[(N'-carbamimidoylcarbamimidoyl)-methylamino]-3-(2-methylpropyl)oct-4-enyl]-3-(diaminomethylidene)-1-methylguanidine
CID 176533086
2-cyclohex-3-en-1-yl-4-N,4-N-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176537741
2-(Cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine;hydroiodide
CID 75493990
N'-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 75493992
N'-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboximidamide
CID 75493993
5-Cyclohex-3-en-1-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79496582
5-Cyclohex-3-en-1-yl-1-[2-(dimethylamino)ethyl]-4,5-dihydroimidazol-2-amine
CID 79497267
5-Cyclohex-3-en-1-yl-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
CID 79498350
5-Cyclohex-3-en-1-yl-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 79509219

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine (CID 75493991) is 2-(cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine is CCN(CC)/C(N)=N/CC1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine?
The InChIKey is LGELXMXRMVGZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-15(4-2)12(13)14-10-11-8-6-5-7-9-11/h5-6,11H,3-4,7-10H2,1-2H3,(H2,13,14).
What are the key properties of 2-(cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine?
2-(cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine has a molecular weight of 209.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine is sourced from PubChem (CID 75493991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).