1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-prop-2-ynylguanidine

C11H19N3O — CID 119156565

IUPAC1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/CC1(O)CCC1)NCC
InChIInChI=1S/C11H19N3O/c1-3-8-13-10(12-4-2)14-9-11(15)6-5-7-11/h1,15H,4-9H2,2H3,(H2,12,13,14)
InChIKeyROCHOIXYFOPLAC-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.09
Rot. Bonds4

About 1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-prop-2-ynylguanidine

1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-prop-2-ynylguanidine (PubChem CID 119156565) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-prop-2-ynylguanidine
PubChem CID119156565
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/CC1(O)CCC1)NCC
InChIInChI=1S/C11H19N3O/c1-3-8-13-10(12-4-2)14-9-11(15)6-5-7-11/h1,15H,4-9H2,2H3,(H2,12,13,14)
InChIKeyROCHOIXYFOPLAC-UHFFFAOYSA-N
XLogP0.09
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 111548640
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine
CID 109470756
1-cyclopentyl-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine
CID 111833833
1-[3-(azepan-1-yl)propyl]-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine
CID 111838193
1-ethyl-3-(3-ethylsulfanylcyclopentyl)-2-[(1-hydroxycyclohexyl)methyl]guanidine
CID 111996825
1-(cyclopropylmethyl)-3-ethyl-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide
CID 111998574
1-ethyl-2-[(1-phenylcyclopropyl)methyl]-3-prop-2-ynylguanidine
CID 111848565
1-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]-3-prop-2-ynylguanidine
CID 111003779
1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-(3-methylbutan-2-yl)guanidine
CID 111000387
tert-butyl N-[2-[[N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111999128
N-ethyl-N'-[(1-hydroxycyclobutyl)methyl]pyrrolidine-1-carboximidamide
CID 111546529
1-(4,4-dimethylcyclohexyl)-3-ethyl-2-[(1-hydroxycyclopentyl)methyl]guanidine
CID 111995365

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-prop-2-ynylguanidine?
The IUPAC name of 1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-prop-2-ynylguanidine (CID 119156565) is 1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-prop-2-ynylguanidine.
What is the SMILES notation for 1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-prop-2-ynylguanidine?
The canonical SMILES for 1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-prop-2-ynylguanidine is C#CCN/C(=N/CC1(O)CCC1)NCC.
What is the InChIKey of 1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-prop-2-ynylguanidine?
The InChIKey is ROCHOIXYFOPLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-8-13-10(12-4-2)14-9-11(15)6-5-7-11/h1,15H,4-9H2,2H3,(H2,12,13,14).
What are the key properties of 1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-prop-2-ynylguanidine?
1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-prop-2-ynylguanidine has a molecular weight of 209.29 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-prop-2-ynylguanidine is sourced from PubChem (CID 119156565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).