1-(diaminomethylidene)-2-(3-methyloxan-4-yl)guanidine

C8H17N5O — CID 130491765

IUPAC1-(diaminomethylidene)-2-(3-methyloxan-4-yl)guanidine
SMILESCC1COCCC1/N=C(\N)N=C(N)N
InChIInChI=1S/C8H17N5O/c1-5-4-14-3-2-6(5)12-8(11)13-7(9)10/h5-6H,2-4H2,1H3,(H6,9,10,11,12,13)
InChIKeyAZWCQMUUZJYCSS-UHFFFAOYSA-N
MW199.26 g/mol
LogP-1.00
Rot. Bonds1

About 1-(diaminomethylidene)-2-(3-methyloxan-4-yl)guanidine

1-(diaminomethylidene)-2-(3-methyloxan-4-yl)guanidine (PubChem CID 130491765) has the molecular formula C8H17N5O and a molecular weight of 199.26 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(3-methyloxan-4-yl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(3-methyloxan-4-yl)guanidine
PubChem CID130491765
Molecular FormulaC8H17N5O
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC Name1-(diaminomethylidene)-2-(3-methyloxan-4-yl)guanidine
SMILESCC1COCCC1/N=C(\N)N=C(N)N
InChIInChI=1S/C8H17N5O/c1-5-4-14-3-2-6(5)12-8(11)13-7(9)10/h5-6H,2-4H2,1H3,(H6,9,10,11,12,13)
InChIKeyAZWCQMUUZJYCSS-UHFFFAOYSA-N
XLogP-1.00
TPSA112.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 5-1.00
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'}

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Related Compounds

1-cyclopropyl-2-(3-methyloxan-4-yl)guanidine
CID 130491764
N'-(4-methyloxolan-3-yl)ethanimidamide
CID 170275954
(3S)-4-azido-3-methyloxane
CID 139456410
1-(3-methyloxan-4-yl)tetrazol-5-amine
CID 130491831
2-(1-benzyl-2-methylpyrrolidin-3-yl)-1-(diaminomethylidene)guanidine
CID 130558815
1-(diaminomethylidene)-2-(1,4-dioxan-2-ylmethyl)guanidine
CID 83036120
1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine
CID 107419018
9,10-dimethyl-1,4,7-trioxacycloundecane
CID 20818181
2-[(3-methyloxan-4-yl)amino]acetamide
CID 130173773
(3S,4R)-3-methyloxane-4-sulfonamide
CID 97177290
(3S)-3-methyloxolane
CID 7857636
2-[(E)-oxolan-3-ylmethylideneamino]guanidine
CID 60707108

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(3-methyloxan-4-yl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(3-methyloxan-4-yl)guanidine (CID 130491765) is 1-(diaminomethylidene)-2-(3-methyloxan-4-yl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(3-methyloxan-4-yl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(3-methyloxan-4-yl)guanidine is CC1COCCC1/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-(3-methyloxan-4-yl)guanidine?
The InChIKey is AZWCQMUUZJYCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O/c1-5-4-14-3-2-6(5)12-8(11)13-7(9)10/h5-6H,2-4H2,1H3,(H6,9,10,11,12,13).
What are the key properties of 1-(diaminomethylidene)-2-(3-methyloxan-4-yl)guanidine?
1-(diaminomethylidene)-2-(3-methyloxan-4-yl)guanidine has a molecular weight of 199.26 g/mol, XLogP of -1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(3-methyloxan-4-yl)guanidine is sourced from PubChem (CID 130491765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).