1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine

C12H23N3 — CID 95908016

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine
SMILESCCN/C(=N\C)NCCC1=CCCCC1
InChIInChI=1S/C12H23N3/c1-3-14-12(13-2)15-10-9-11-7-5-4-6-8-11/h7H,3-6,8-10H2,1-2H3,(H2,13,14,15)
InChIKeyWLNJLQKMWYIVMT-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.06
Rot. Bonds4

About 1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine

1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine (PubChem CID 95908016) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine
PubChem CID95908016
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine
SMILESCCN/C(=N\C)NCCC1=CCCCC1
InChIInChI=1S/C12H23N3/c1-3-14-12(13-2)15-10-9-11-7-5-4-6-8-11/h7H,3-6,8-10H2,1-2H3,(H2,13,14,15)
InChIKeyWLNJLQKMWYIVMT-UHFFFAOYSA-N
XLogP2.06
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.06
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

2-[(Z)-octadec-9-enyl]-1-[8-[[N'-[(Z)-octadec-9-enyl]carbamimidoyl]amino]octyl]guanidine
CID 172444260
1-[4-(diaminomethylideneamino)butyl]-2-[(Z)-octadec-9-enyl]guanidine
CID 172446834
1-(4-aminobutyl)-2-[(Z)-octadec-9-enyl]guanidine
CID 172448694
2-(8-aminooctyl)-1-[(Z)-octadec-9-enyl]guanidine
CID 172459535
2-decyl-1-[(Z)-octadec-9-enyl]guanidine
CID 172460300
1-(4-aminobutyl)-2-[(9Z,12Z)-octadeca-9,12-dienyl]guanidine
CID 172462374
1-(4-aminobutyl)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienyl]guanidine
CID 172465396
2-(8-aminooctyl)-1-[(9Z,12Z)-octadeca-9,12-dienyl]guanidine
CID 172469274
1-[8-(diaminomethylideneamino)octyl]-2-[(9Z,12Z)-octadeca-9,12-dienyl]guanidine
CID 172471824
3-[2-(Cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine
CID 100611868
1-(6-Aminohexyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661450
1-(5-Aminopentyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661483

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine (CID 95908016) is 1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine is CCN/C(=N\C)NCCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine?
The InChIKey is WLNJLQKMWYIVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-14-12(13-2)15-10-9-11-7-5-4-6-8-11/h7H,3-6,8-10H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine?
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine has a molecular weight of 209.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine is sourced from PubChem (CID 95908016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).