2-(3-methoxybutan-2-ylideneamino)guanidine

C6H14N4O — CID 103773080

IUPAC2-(3-methoxybutan-2-ylideneamino)guanidine
SMILESCOC(C)C(C)=NN=C(N)N
InChIInChI=1S/C6H14N4O/c1-4(5(2)11-3)9-10-6(7)8/h5H,1-3H3,(H4,7,8,10)
InChIKeyLKNAOZWCPPJCJS-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.33
Rot. Bonds3

About 2-(3-methoxybutan-2-ylideneamino)guanidine

2-(3-methoxybutan-2-ylideneamino)guanidine (PubChem CID 103773080) has the molecular formula C6H14N4O and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(3-methoxybutan-2-ylideneamino)guanidine.

Molecular Properties

Compound Name2-(3-methoxybutan-2-ylideneamino)guanidine
PubChem CID103773080
Molecular FormulaC6H14N4O
Molecular Weight158.20 g/mol
Exact Mass158.12
IUPAC Name2-(3-methoxybutan-2-ylideneamino)guanidine
SMILESCOC(C)C(C)=NN=C(N)N
InChIInChI=1S/C6H14N4O/c1-4(5(2)11-3)9-10-6(7)8/h5H,1-3H3,(H4,7,8,10)
InChIKeyLKNAOZWCPPJCJS-UHFFFAOYSA-N
XLogP-0.33
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

3-Methoxybutan-2-imine
CID 90191917
(3R)-3-methoxybutan-2-imine
CID 123182755
2-(1-Methoxypropan-2-ylideneamino)guanidine
CID 76948445
2-(1-Methoxybutan-2-ylideneamino)guanidine
CID 77037770
2-(4-Methoxybutan-2-ylideneamino)guanidine
CID 77060038
2-[(3-Ethoxycyclobutylidene)amino]guanidine
CID 106824493
2-[(3-Methoxycyclobutylidene)amino]guanidine
CID 106824494
2-[(2-Methyloxolan-3-ylidene)amino]guanidine
CID 115327827
(E)-3-methoxybutan-2-ylidenehydrazine
CID 133677405

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxybutan-2-ylideneamino)guanidine?
The IUPAC name of 2-(3-methoxybutan-2-ylideneamino)guanidine (CID 103773080) is 2-(3-methoxybutan-2-ylideneamino)guanidine.
What is the SMILES notation for 2-(3-methoxybutan-2-ylideneamino)guanidine?
The canonical SMILES for 2-(3-methoxybutan-2-ylideneamino)guanidine is COC(C)C(C)=NN=C(N)N.
What is the InChIKey of 2-(3-methoxybutan-2-ylideneamino)guanidine?
The InChIKey is LKNAOZWCPPJCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O/c1-4(5(2)11-3)9-10-6(7)8/h5H,1-3H3,(H4,7,8,10).
What are the key properties of 2-(3-methoxybutan-2-ylideneamino)guanidine?
2-(3-methoxybutan-2-ylideneamino)guanidine has a molecular weight of 158.20 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxybutan-2-ylideneamino)guanidine is sourced from PubChem (CID 103773080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).