1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine

C9H20N4O — CID 104886091

IUPAC1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine
SMILESCCN/C(=N\CC1CCOCC1)NN
InChIInChI=1S/C9H20N4O/c1-2-11-9(13-10)12-7-8-3-5-14-6-4-8/h8H,2-7,10H2,1H3,(H2,11,12,13)
InChIKeyAZVFZEYWVOQUSE-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.16
Rot. Bonds3

About 1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine

1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine (PubChem CID 104886091) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine
PubChem CID104886091
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine
SMILESCCN/C(=N\CC1CCOCC1)NN
InChIInChI=1S/C9H20N4O/c1-2-11-9(13-10)12-7-8-3-5-14-6-4-8/h8H,2-7,10H2,1H3,(H2,11,12,13)
InChIKeyAZVFZEYWVOQUSE-UHFFFAOYSA-N
XLogP-0.16
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxan-4-ylmethyl)guanidine
CID 119151483
1-amino-3-butyl-2-(oxolan-3-ylmethyl)guanidine
CID 104882633
1-amino-2-[(3,3-difluorocyclobutyl)methyl]-3-ethylguanidine
CID 130878893
1-amino-3-ethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine
CID 104884569
1-ethyl-3-(2-morpholin-4-ylethyl)-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111188083
1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine
CID 119155673
2-(cyclopropylmethyl)-1-ethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111870289
2-(cyclopropylmethyl)-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137493
N-ethyl-N'-(oxan-4-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119144545
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 119134195
1,3-diethyl-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 110917818
2-(cyclopropylmethyl)-1-ethyl-3-pentylguanidine;hydroiodide
CID 111128884

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine?
The IUPAC name of 1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine (CID 104886091) is 1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine.
What is the SMILES notation for 1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine?
The canonical SMILES for 1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine is CCN/C(=N\CC1CCOCC1)NN.
What is the InChIKey of 1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine?
The InChIKey is AZVFZEYWVOQUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-2-11-9(13-10)12-7-8-3-5-14-6-4-8/h8H,2-7,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine?
1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine has a molecular weight of 200.29 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine is sourced from PubChem (CID 104886091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).