1-(diaminomethylidene)-2-(1,4-dioxan-2-ylmethyl)guanidine

C7H15N5O2 — CID 83036120

IUPAC1-(diaminomethylidene)-2-(1,4-dioxan-2-ylmethyl)guanidine
SMILESNC(N)=N/C(N)=N/CC1COCCO1
InChIInChI=1S/C7H15N5O2/c8-6(9)12-7(10)11-3-5-4-13-1-2-14-5/h5H,1-4H2,(H6,8,9,10,11,12)
InChIKeyGVYKJZUYGDGUSY-UHFFFAOYSA-N
MW201.23 g/mol
LogP-2.01
Rot. Bonds2

About 1-(diaminomethylidene)-2-(1,4-dioxan-2-ylmethyl)guanidine

1-(diaminomethylidene)-2-(1,4-dioxan-2-ylmethyl)guanidine (PubChem CID 83036120) has the molecular formula C7H15N5O2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(1,4-dioxan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(1,4-dioxan-2-ylmethyl)guanidine
PubChem CID83036120
Molecular FormulaC7H15N5O2
Molecular Weight201.23 g/mol
Exact Mass201.12
IUPAC Name1-(diaminomethylidene)-2-(1,4-dioxan-2-ylmethyl)guanidine
SMILESNC(N)=N/C(N)=N/CC1COCCO1
InChIInChI=1S/C7H15N5O2/c8-6(9)12-7(10)11-3-5-4-13-1-2-14-5/h5H,1-4H2,(H6,8,9,10,11,12)
InChIKeyGVYKJZUYGDGUSY-UHFFFAOYSA-N
XLogP-2.01
TPSA121.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-2.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxolan-4-ylmethyl)guanidine
CID 159103052
1-amino-3-cyclopentyl-2-(1,4-dioxan-2-ylmethyl)guanidine
CID 104884342
2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 119119474
1-amino-2-(1,4-dioxan-2-ylmethyl)-3-(2-methoxyethyl)guanidine
CID 104884346
1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine
CID 5080255
N'-(1,4-dioxan-2-ylmethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119119468
2-[(2R)-1,4-dioxan-2-yl]ethanamine
CID 94920257
2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane
CID 11760168
2-(1,4,7,10-tetraoxacyclododec-2-yl)ethanol
CID 21459614
N-(1,4-dioxan-2-ylmethyl)hydroxylamine
CID 88551230
1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine
CID 107419018
ethane;2-ethyl-1,4-dioxane
CID 170734415

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(1,4-dioxan-2-ylmethyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(1,4-dioxan-2-ylmethyl)guanidine (CID 83036120) is 1-(diaminomethylidene)-2-(1,4-dioxan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(1,4-dioxan-2-ylmethyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(1,4-dioxan-2-ylmethyl)guanidine is NC(N)=N/C(N)=N/CC1COCCO1.
What is the InChIKey of 1-(diaminomethylidene)-2-(1,4-dioxan-2-ylmethyl)guanidine?
The InChIKey is GVYKJZUYGDGUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O2/c8-6(9)12-7(10)11-3-5-4-13-1-2-14-5/h5H,1-4H2,(H6,8,9,10,11,12).
What are the key properties of 1-(diaminomethylidene)-2-(1,4-dioxan-2-ylmethyl)guanidine?
1-(diaminomethylidene)-2-(1,4-dioxan-2-ylmethyl)guanidine has a molecular weight of 201.23 g/mol, XLogP of -2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(1,4-dioxan-2-ylmethyl)guanidine is sourced from PubChem (CID 83036120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).