2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-prop-2-enylguanidine

C13H23N3 — CID 119116304

IUPAC2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CC1CC=CCC1)NCC
InChIInChI=1S/C13H23N3/c1-3-10-15-13(14-4-2)16-11-12-8-6-5-7-9-12/h3,5-6,12H,1,4,7-11H2,2H3,(H2,14,15,16)
InChIKeyMMFQQMWWHKLDFL-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.08
Rot. Bonds5

About 2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-prop-2-enylguanidine

2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-prop-2-enylguanidine (PubChem CID 119116304) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-prop-2-enylguanidine.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-prop-2-enylguanidine
PubChem CID119116304
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CC1CC=CCC1)NCC
InChIInChI=1S/C13H23N3/c1-3-10-15-13(14-4-2)16-11-12-8-6-5-7-9-12/h3,5-6,12H,1,4,7-11H2,2H3,(H2,14,15,16)
InChIKeyMMFQQMWWHKLDFL-UHFFFAOYSA-N
XLogP2.08
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.08
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
4-Methyl-5-propyl-3,4,4a,5,6,8a-hexahydroquinazolin-2-amine
CID 123838377
1,2-dimethyl-3-[(Z)-undec-5-enyl]guanidine
CID 141676982
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
2-cyclohex-3-en-1-yl-4-N,4-N-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176537741
1-[2-(Cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloct-6-enyl)guanidine
CID 10947846
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
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine
CID 109470478
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 2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-prop-2-enylguanidine?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-prop-2-enylguanidine (CID 119116304) is 2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-prop-2-enylguanidine.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-prop-2-enylguanidine?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-prop-2-enylguanidine is C=CCN/C(=N/CC1CC=CCC1)NCC.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-prop-2-enylguanidine?
The InChIKey is MMFQQMWWHKLDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-10-15-13(14-4-2)16-11-12-8-6-5-7-9-12/h3,5-6,12H,1,4,7-11H2,2H3,(H2,14,15,16).
What are the key properties of 2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-prop-2-enylguanidine?
2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-prop-2-enylguanidine has a molecular weight of 221.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-prop-2-enylguanidine is sourced from PubChem (CID 119116304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).