N-(methylideneamino)oxolan-2-amine

C5H10N2O — CID 163795352

IUPACN-(methylideneamino)oxolan-2-amine
SMILESC=NNC1CCCO1
InChIInChI=1S/C5H10N2O/c1-6-7-5-3-2-4-8-5/h5,7H,1-4H2
InChIKeyNAHBIMZEAHNVSB-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.33
Rot. Bonds2

About N-(methylideneamino)oxolan-2-amine

N-(methylideneamino)oxolan-2-amine (PubChem CID 163795352) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N-(methylideneamino)oxolan-2-amine.

Molecular Properties

Compound NameN-(methylideneamino)oxolan-2-amine
PubChem CID163795352
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN-(methylideneamino)oxolan-2-amine
SMILESC=NNC1CCCO1
InChIInChI=1S/C5H10N2O/c1-6-7-5-3-2-4-8-5/h5,7H,1-4H2
InChIKeyNAHBIMZEAHNVSB-UHFFFAOYSA-N
XLogP0.33
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine
CID 70173345
2-(sulfinatoamino)oxolane
CID 57299941
N-(3-chloropropyl)oxolan-2-amine
CID 175243953
2-(oxiran-2-yl)oxolane
CID 18759351
oxan-2-ylcyanamide
CID 105427278
2-N-(oxolan-2-yl)propane-1,2-diamine
CID 135236045
N-heptan-4-yloxolan-2-amine
CID 173097504
N-(oxan-2-yl)ethenesulfonamide
CID 86241569
1-cyclododecyl-3-(oxolan-2-yl)urea
CID 108887824
N-pentan-2-yloxolan-2-amine
CID 173097405
N-[1-(oxolan-2-yl)ethyl]but-3-en-2-amine
CID 104531303
oxan-2-ylthiourea
CID 54435172

Frequently Asked Questions

What is the IUPAC name of N-(methylideneamino)oxolan-2-amine?
The IUPAC name of N-(methylideneamino)oxolan-2-amine (CID 163795352) is N-(methylideneamino)oxolan-2-amine.
What is the SMILES notation for N-(methylideneamino)oxolan-2-amine?
The canonical SMILES for N-(methylideneamino)oxolan-2-amine is C=NNC1CCCO1.
What is the InChIKey of N-(methylideneamino)oxolan-2-amine?
The InChIKey is NAHBIMZEAHNVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-6-7-5-3-2-4-8-5/h5,7H,1-4H2.
What are the key properties of N-(methylideneamino)oxolan-2-amine?
N-(methylideneamino)oxolan-2-amine has a molecular weight of 114.15 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylideneamino)oxolan-2-amine is sourced from PubChem (CID 163795352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).