[3-[ethenyl-(methylideneamino)amino]cyclobutyl]methanol

C8H14N2O — CID 166994972

IUPAC[3-[ethenyl-(methylideneamino)amino]cyclobutyl]methanol
SMILESC=CN(N=C)C1CC(CO)C1
InChIInChI=1S/C8H14N2O/c1-3-10(9-2)8-4-7(5-8)6-11/h3,7-8,11H,1-2,4-6H2
InChIKeyMWAHOKIPERMPMF-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.82
Rot. Bonds4

About [3-[ethenyl-(methylideneamino)amino]cyclobutyl]methanol

[3-[ethenyl-(methylideneamino)amino]cyclobutyl]methanol (PubChem CID 166994972) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is [3-[ethenyl-(methylideneamino)amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[3-[ethenyl-(methylideneamino)amino]cyclobutyl]methanol
PubChem CID166994972
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name[3-[ethenyl-(methylideneamino)amino]cyclobutyl]methanol
SMILESC=CN(N=C)C1CC(CO)C1
InChIInChI=1S/C8H14N2O/c1-3-10(9-2)8-4-7(5-8)6-11/h3,7-8,11H,1-2,4-6H2
InChIKeyMWAHOKIPERMPMF-UHFFFAOYSA-N
XLogP0.82
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.82
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

N-ethenyl-N-(methylideneamino)cyclopropanamine
CID 155450791
buta-1,3-diene;[4-(hydroxymethyl)cyclohexyl]methanol
CID 87532739
3-(hydroxymethyl)cyclobutan-1-ol
CID 14045176
(3,4-difluorocyclopentyl)methanol
CID 72541725
[5-[cyclopropyl(prop-2-enyl)amino]piperidin-3-yl]methanol;ethane
CID 176713167
[(1S,3R)-3-(dimethylamino)cyclohexyl]methanol
CID 131020197
[3-(bromomethyl)cyclobutyl]methanol
CID 155920804
[(1R,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]methanol
CID 124527310
N-ethenyl-N-[(Z)-ethylideneamino]cyclopropanamine
CID 144786762
[4-[methyl(pent-4-enyl)amino]cyclohexyl]methanol
CID 75434424
[(2R)-2,6-dimethyloxan-4-yl]methanol
CID 69262648
[(1S,2S)-2-ethenylcyclopropyl]methanol
CID 10011846

Frequently Asked Questions

What is the IUPAC name of [3-[ethenyl-(methylideneamino)amino]cyclobutyl]methanol?
The IUPAC name of [3-[ethenyl-(methylideneamino)amino]cyclobutyl]methanol (CID 166994972) is [3-[ethenyl-(methylideneamino)amino]cyclobutyl]methanol.
What is the SMILES notation for [3-[ethenyl-(methylideneamino)amino]cyclobutyl]methanol?
The canonical SMILES for [3-[ethenyl-(methylideneamino)amino]cyclobutyl]methanol is C=CN(N=C)C1CC(CO)C1.
What is the InChIKey of [3-[ethenyl-(methylideneamino)amino]cyclobutyl]methanol?
The InChIKey is MWAHOKIPERMPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-10(9-2)8-4-7(5-8)6-11/h3,7-8,11H,1-2,4-6H2.
What are the key properties of [3-[ethenyl-(methylideneamino)amino]cyclobutyl]methanol?
[3-[ethenyl-(methylideneamino)amino]cyclobutyl]methanol has a molecular weight of 154.21 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[ethenyl-(methylideneamino)amino]cyclobutyl]methanol is sourced from PubChem (CID 166994972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).