1-tert-butyl-2-(cyclohex-3-en-1-ylmethyl)-3-ethylguanidine

C14H27N3 — CID 119116171

IUPAC1-tert-butyl-2-(cyclohex-3-en-1-ylmethyl)-3-ethylguanidine
SMILESCCN/C(=N\CC1CC=CCC1)NC(C)(C)C
InChIInChI=1S/C14H27N3/c1-5-15-13(17-14(2,3)4)16-11-12-9-7-6-8-10-12/h6-7,12H,5,8-11H2,1-4H3,(H2,15,16,17)
InChIKeyAOHLRGWCWTVNQD-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.70
Rot. Bonds3

About 1-tert-butyl-2-(cyclohex-3-en-1-ylmethyl)-3-ethylguanidine

1-tert-butyl-2-(cyclohex-3-en-1-ylmethyl)-3-ethylguanidine (PubChem CID 119116171) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-tert-butyl-2-(cyclohex-3-en-1-ylmethyl)-3-ethylguanidine.

Molecular Properties

Compound Name1-tert-butyl-2-(cyclohex-3-en-1-ylmethyl)-3-ethylguanidine
PubChem CID119116171
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-tert-butyl-2-(cyclohex-3-en-1-ylmethyl)-3-ethylguanidine
SMILESCCN/C(=N\CC1CC=CCC1)NC(C)(C)C
InChIInChI=1S/C14H27N3/c1-5-15-13(17-14(2,3)4)16-11-12-9-7-6-8-10-12/h6-7,12H,5,8-11H2,1-4H3,(H2,15,16,17)
InChIKeyAOHLRGWCWTVNQD-UHFFFAOYSA-N
XLogP2.70
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.70
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 21027228
6-Chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163776105
(8aS)-5-methyl-1,4,4a,5,8,8a-hexahydroquinazolin-2-amine
CID 166943838
2-cyclohex-3-en-1-yl-4-N,4-N-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176537741
1-Cyclohex-3-en-1-yl-2-(2-methylpropyl)guanidine
CID 65679564
2-(Cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine;hydroiodide
CID 75493990
2-(Cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine
CID 75493991
5-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine
CID 79509894
1-Cyclopent-3-en-1-yl-3-(5,5-dimethylhexyl)-2-methylguanidine
CID 109768639
1-Cyclopent-3-en-1-yl-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 109768942
1-Cyclopent-3-en-1-yl-2-methyl-3-(2-propylcyclopropyl)guanidine
CID 109768943
1-Cyclopent-3-en-1-yl-3-ethyl-2-(4-methylpentyl)guanidine;hydroiodide
CID 109769064

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(cyclohex-3-en-1-ylmethyl)-3-ethylguanidine?
The IUPAC name of 1-tert-butyl-2-(cyclohex-3-en-1-ylmethyl)-3-ethylguanidine (CID 119116171) is 1-tert-butyl-2-(cyclohex-3-en-1-ylmethyl)-3-ethylguanidine.
What is the SMILES notation for 1-tert-butyl-2-(cyclohex-3-en-1-ylmethyl)-3-ethylguanidine?
The canonical SMILES for 1-tert-butyl-2-(cyclohex-3-en-1-ylmethyl)-3-ethylguanidine is CCN/C(=N\CC1CC=CCC1)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(cyclohex-3-en-1-ylmethyl)-3-ethylguanidine?
The InChIKey is AOHLRGWCWTVNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-15-13(17-14(2,3)4)16-11-12-9-7-6-8-10-12/h6-7,12H,5,8-11H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-tert-butyl-2-(cyclohex-3-en-1-ylmethyl)-3-ethylguanidine?
1-tert-butyl-2-(cyclohex-3-en-1-ylmethyl)-3-ethylguanidine has a molecular weight of 237.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(cyclohex-3-en-1-ylmethyl)-3-ethylguanidine is sourced from PubChem (CID 119116171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).