N,N-diaminooxolan-3-amine

C4H11N3O — CID 123543095

IUPACN,N-diaminooxolan-3-amine
SMILESNN(N)C1CCOC1
InChIInChI=1S/C4H11N3O/c5-7(6)4-1-2-8-3-4/h4H,1-3,5-6H2
InChIKeySYOVMFLHELUWLP-UHFFFAOYSA-N
MW117.15 g/mol
LogP-1.18
Rot. Bonds1

About N,N-diaminooxolan-3-amine

N,N-diaminooxolan-3-amine (PubChem CID 123543095) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is N,N-diaminooxolan-3-amine.

Molecular Properties

Compound NameN,N-diaminooxolan-3-amine
PubChem CID123543095
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC NameN,N-diaminooxolan-3-amine
SMILESNN(N)C1CCOC1
InChIInChI=1S/C4H11N3O/c5-7(6)4-1-2-8-3-4/h4H,1-3,5-6H2
InChIKeySYOVMFLHELUWLP-UHFFFAOYSA-N
XLogP-1.18
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-1-(oxan-4-yl)hydrazine
CID 121203549
1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine
CID 82746077
N-methoxy-N-methyloxolan-3-amine
CID 142607541
N-methyl-N-(oxolan-3-yl)azetidin-3-amine
CID 66187761
N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine
CID 124729941
2-amino-1-methyl-1-(oxolan-3-yl)guanidine
CID 82740357
N'-ethyl-2-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 63556391
[1-amino-3-[methyl(oxolan-3-yl)amino]cyclopentyl]methanol
CID 82745481
2-hydroxyimino-N,N-bis(oxolan-3-yl)acetamide
CID 175950638
1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea
CID 67472879
N'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 63558740
2-[methyl(oxolan-3-yl)amino]acetaldehyde
CID 82742163

Frequently Asked Questions

What is the IUPAC name of N,N-diaminooxolan-3-amine?
The IUPAC name of N,N-diaminooxolan-3-amine (CID 123543095) is N,N-diaminooxolan-3-amine.
What is the SMILES notation for N,N-diaminooxolan-3-amine?
The canonical SMILES for N,N-diaminooxolan-3-amine is NN(N)C1CCOC1.
What is the InChIKey of N,N-diaminooxolan-3-amine?
The InChIKey is SYOVMFLHELUWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c5-7(6)4-1-2-8-3-4/h4H,1-3,5-6H2.
What are the key properties of N,N-diaminooxolan-3-amine?
N,N-diaminooxolan-3-amine has a molecular weight of 117.15 g/mol, XLogP of -1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diaminooxolan-3-amine is sourced from PubChem (CID 123543095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).