ethane;[2-[methyl-(methylideneamino)amino]cyclobutyl]methanol

C9H20N2O — CID 164570734

IUPACethane;[2-[methyl-(methylideneamino)amino]cyclobutyl]methanol
SMILESC=NN(C)C1CCC1CO.CC
InChIInChI=1S/C7H14N2O.C2H6/c1-8-9(2)7-4-3-6(7)5-10;1-2/h6-7,10H,1,3-5H2,2H3;1-2H3
InChIKeyJUVBSJLSZMTRMQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.33
Rot. Bonds3

About ethane;[2-[methyl-(methylideneamino)amino]cyclobutyl]methanol

ethane;[2-[methyl-(methylideneamino)amino]cyclobutyl]methanol (PubChem CID 164570734) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is ethane;[2-[methyl-(methylideneamino)amino]cyclobutyl]methanol.

Molecular Properties

Compound Nameethane;[2-[methyl-(methylideneamino)amino]cyclobutyl]methanol
PubChem CID164570734
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameethane;[2-[methyl-(methylideneamino)amino]cyclobutyl]methanol
SMILESC=NN(C)C1CCC1CO.CC
InChIInChI=1S/C7H14N2O.C2H6/c1-8-9(2)7-4-3-6(7)5-10;1-2/h6-7,10H,1,3-5H2,2H3;1-2H3
InChIKeyJUVBSJLSZMTRMQ-UHFFFAOYSA-N
XLogP1.33
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.33
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

[(1R,2S)-2-(dimethylamino)cyclobutyl]methanol
CID 134691788
[2-(diethylaminomethyl)cyclohexyl]methanol
CID 104550218
2-(hydroxymethyl)cyclobutane-1-carbonitrile
CID 13129688
[(1R,2S)-2-aminocyclobutyl]methanol;hydrochloride
CID 162342272
[(1R,2S)-2-(fluoromethyl)cyclobutyl]methanol
CID 155904104
[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
[(1S,2S)-2-methylcyclopropyl]methanol
CID 7869082
(2,6-dimethylpiperidin-3-yl)methanol
CID 19019573
[2-[(E)-prop-1-enyl]cyclobutyl]methanol
CID 130142800
[(1S,2S)-2-ethenylcyclohexyl]methanol
CID 22854364
(1R,2R,3R,4S)-4-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 6102431
[4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol
CID 18326902

Frequently Asked Questions

What is the IUPAC name of ethane;[2-[methyl-(methylideneamino)amino]cyclobutyl]methanol?
The IUPAC name of ethane;[2-[methyl-(methylideneamino)amino]cyclobutyl]methanol (CID 164570734) is ethane;[2-[methyl-(methylideneamino)amino]cyclobutyl]methanol.
What is the SMILES notation for ethane;[2-[methyl-(methylideneamino)amino]cyclobutyl]methanol?
The canonical SMILES for ethane;[2-[methyl-(methylideneamino)amino]cyclobutyl]methanol is C=NN(C)C1CCC1CO.CC.
What is the InChIKey of ethane;[2-[methyl-(methylideneamino)amino]cyclobutyl]methanol?
The InChIKey is JUVBSJLSZMTRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C2H6/c1-8-9(2)7-4-3-6(7)5-10;1-2/h6-7,10H,1,3-5H2,2H3;1-2H3.
What are the key properties of ethane;[2-[methyl-(methylideneamino)amino]cyclobutyl]methanol?
ethane;[2-[methyl-(methylideneamino)amino]cyclobutyl]methanol has a molecular weight of 172.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-[methyl-(methylideneamino)amino]cyclobutyl]methanol is sourced from PubChem (CID 164570734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).