1-ethyl-3-(2-methylcyclopropyl)-2-[(E)-pent-3-enyl]guanidine

C12H23N3 — CID 111587997

IUPAC1-ethyl-3-(2-methylcyclopropyl)-2-[(E)-pent-3-enyl]guanidine
SMILESC/C=C/CC/N=C(\NCC)NC1CC1C
InChIInChI=1S/C12H23N3/c1-4-6-7-8-14-12(13-5-2)15-11-9-10(11)3/h4,6,10-11H,5,7-9H2,1-3H3,(H2,13,14,15)/b6-4+
InChIKeyDXNPOWOKPVJCJQ-GQCTYLIASA-N
MW209.34 g/mol
LogP1.92
Rot. Bonds5

About 1-ethyl-3-(2-methylcyclopropyl)-2-[(E)-pent-3-enyl]guanidine

1-ethyl-3-(2-methylcyclopropyl)-2-[(E)-pent-3-enyl]guanidine (PubChem CID 111587997) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylcyclopropyl)-2-[(E)-pent-3-enyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methylcyclopropyl)-2-[(E)-pent-3-enyl]guanidine
PubChem CID111587997
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-ethyl-3-(2-methylcyclopropyl)-2-[(E)-pent-3-enyl]guanidine
SMILESC/C=C/CC/N=C(\NCC)NC1CC1C
InChIInChI=1S/C12H23N3/c1-4-6-7-8-14-12(13-5-2)15-11-9-10(11)3/h4,6,10-11H,5,7-9H2,1-3H3,(H2,13,14,15)/b6-4+
InChIKeyDXNPOWOKPVJCJQ-GQCTYLIASA-N
XLogP1.92
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide
CID 111961971
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-methylpropoxy)ethyl]guanidine
CID 111961961
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111961689
1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine
CID 111962055
2-[4-(3,5-dimethylpiperidin-1-yl)butyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111962905
1-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(2-methylcyclopropyl)guanidine
CID 111962431
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111961887
1-ethyl-3-(2-methylcyclopropyl)-2-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111611968
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-methylcyclopropyl)guanidine
CID 111608407
2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111961064
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine
CID 119151747
2-[2-(5-bromothiophen-2-yl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111863262

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[(E)-pent-3-enyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[(E)-pent-3-enyl]guanidine (CID 111587997) is 1-ethyl-3-(2-methylcyclopropyl)-2-[(E)-pent-3-enyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methylcyclopropyl)-2-[(E)-pent-3-enyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-methylcyclopropyl)-2-[(E)-pent-3-enyl]guanidine is C/C=C/CC/N=C(\NCC)NC1CC1C.
What is the InChIKey of 1-ethyl-3-(2-methylcyclopropyl)-2-[(E)-pent-3-enyl]guanidine?
The InChIKey is DXNPOWOKPVJCJQ-GQCTYLIASA-N. The full InChI is InChI=1S/C12H23N3/c1-4-6-7-8-14-12(13-5-2)15-11-9-10(11)3/h4,6,10-11H,5,7-9H2,1-3H3,(H2,13,14,15)/b6-4+.
What are the key properties of 1-ethyl-3-(2-methylcyclopropyl)-2-[(E)-pent-3-enyl]guanidine?
1-ethyl-3-(2-methylcyclopropyl)-2-[(E)-pent-3-enyl]guanidine has a molecular weight of 209.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylcyclopropyl)-2-[(E)-pent-3-enyl]guanidine is sourced from PubChem (CID 111587997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).