1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine

C12H23N3 — CID 109469712

IUPAC1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCC1(CC)CCC1
InChIInChI=1S/C12H23N3/c1-4-9-14-11(13-3)15-10-12(5-2)7-6-8-12/h4H,1,5-10H2,2-3H3,(H2,13,14,15)
InChIKeyNIMKIIYIQDQBCB-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.92
Rot. Bonds5

About 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine

1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine (PubChem CID 109469712) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine
PubChem CID109469712
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCC1(CC)CCC1
InChIInChI=1S/C12H23N3/c1-4-9-14-11(13-3)15-10-12(5-2)7-6-8-12/h4H,1,5-10H2,2-3H3,(H2,13,14,15)
InChIKeyNIMKIIYIQDQBCB-UHFFFAOYSA-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': '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

1-[(1-Cyclopropylcyclopropyl)methyl]-2-methyl-3-prop-2-enylguanidine
CID 99704022
2-[(1-Ethylcyclobutyl)methyl]-1-propylguanidine
CID 103740868
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-pentylguanidine;hydroiodide
CID 109468652
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-pentylguanidine
CID 109468653
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 109468657
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 109468662
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-propylguanidine
CID 109468663
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 109469010
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 109469011
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-prop-2-enylguanidine
CID 109469012
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 109469711
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-methylpropyl)guanidine
CID 109469714

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine?
The IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine (CID 109469712) is 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine?
The canonical SMILES for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine is C=CCN/C(=N\C)NCC1(CC)CCC1.
What is the InChIKey of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine?
The InChIKey is NIMKIIYIQDQBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-9-14-11(13-3)15-10-12(5-2)7-6-8-12/h4H,1,5-10H2,2-3H3,(H2,13,14,15).
What are the key properties of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine?
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine 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-[(1-ethylcyclobutyl)methyl]-2-methyl-3-prop-2-enylguanidine is sourced from PubChem (CID 109469712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).