2-amino-1-methyl-1-(oxolan-3-yl)guanidine

C6H14N4O — CID 82740357

IUPAC2-amino-1-methyl-1-(oxolan-3-yl)guanidine
SMILESCN(C(N)=NN)C1CCOC1
InChIInChI=1S/C6H14N4O/c1-10(6(7)9-8)5-2-3-11-4-5/h5H,2-4,8H2,1H3,(H2,7,9)
InChIKeyIYHGCTIRANZWKX-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.10
Rot. Bonds1

About 2-amino-1-methyl-1-(oxolan-3-yl)guanidine

2-amino-1-methyl-1-(oxolan-3-yl)guanidine (PubChem CID 82740357) has the molecular formula C6H14N4O and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-amino-1-methyl-1-(oxolan-3-yl)guanidine.

Molecular Properties

Compound Name2-amino-1-methyl-1-(oxolan-3-yl)guanidine
PubChem CID82740357
Molecular FormulaC6H14N4O
Molecular Weight158.20 g/mol
Exact Mass158.12
IUPAC Name2-amino-1-methyl-1-(oxolan-3-yl)guanidine
SMILESCN(C(N)=NN)C1CCOC1
InChIInChI=1S/C6H14N4O/c1-10(6(7)9-8)5-2-3-11-4-5/h5H,2-4,8H2,1H3,(H2,7,9)
InChIKeyIYHGCTIRANZWKX-UHFFFAOYSA-N
XLogP-1.10
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
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

2-cyclopropyl-1-methyl-1-(oxolan-3-yl)guanidine
CID 78967151
2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 87258181
3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide
CID 82749549
3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 82748788
3-amino-N,2-dimethyl-N-(oxolan-3-yl)butanamide;hydrochloride
CID 120500471
3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide
CID 82738625
N-methoxy-N-methyloxolan-3-amine
CID 142607541
3-amino-2-ethyl-1-methyl-1-(oxolan-3-yl)guanidine
CID 104887876
(2R)-2-amino-N,3-dimethyl-N-(oxolan-3-yl)butanamide
CID 82738595
1-methyl-1-(oxan-4-yl)thiourea
CID 43610988
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(oxolan-3-yl)butanamide
CID 82749463
2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
CID 64868594

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-1-(oxolan-3-yl)guanidine?
The IUPAC name of 2-amino-1-methyl-1-(oxolan-3-yl)guanidine (CID 82740357) is 2-amino-1-methyl-1-(oxolan-3-yl)guanidine.
What is the SMILES notation for 2-amino-1-methyl-1-(oxolan-3-yl)guanidine?
The canonical SMILES for 2-amino-1-methyl-1-(oxolan-3-yl)guanidine is CN(C(N)=NN)C1CCOC1.
What is the InChIKey of 2-amino-1-methyl-1-(oxolan-3-yl)guanidine?
The InChIKey is IYHGCTIRANZWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O/c1-10(6(7)9-8)5-2-3-11-4-5/h5H,2-4,8H2,1H3,(H2,7,9).
What are the key properties of 2-amino-1-methyl-1-(oxolan-3-yl)guanidine?
2-amino-1-methyl-1-(oxolan-3-yl)guanidine has a molecular weight of 158.20 g/mol, XLogP of -1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-1-(oxolan-3-yl)guanidine is sourced from PubChem (CID 82740357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).