N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine;hydrochloride

C7H13ClN2O2 — CID 175060692

IUPACN'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine;hydrochloride
SMILESCC1(C)OCC(CN=C=N)O1.Cl
InChIInChI=1S/C7H12N2O2.ClH/c1-7(2)10-4-6(11-7)3-9-5-8;/h6,8H,3-4H2,1-2H3;1H
InChIKeyJCJZUCNDJPCKBJ-UHFFFAOYSA-N
MW192.65 g/mol
LogP1.31
Rot. Bonds2

About N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine;hydrochloride

N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine;hydrochloride (PubChem CID 175060692) has the molecular formula C7H13ClN2O2 and a molecular weight of 192.65 g/mol. Its IUPAC name is N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine;hydrochloride.

Molecular Properties

Compound NameN'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine;hydrochloride
PubChem CID175060692
Molecular FormulaC7H13ClN2O2
Molecular Weight192.65 g/mol
Exact Mass192.07
IUPAC NameN'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine;hydrochloride
SMILESCC1(C)OCC(CN=C=N)O1.Cl
InChIInChI=1S/C7H12N2O2.ClH/c1-7(2)10-4-6(11-7)3-9-5-8;/h6,8H,3-4H2,1-2H3;1H
InChIKeyJCJZUCNDJPCKBJ-UHFFFAOYSA-N
XLogP1.31
TPSA54.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(isocyanatomethyl)-2,2-dimethyl-1,3-dioxolane
CID 71331594
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride
CID 21466688
(4R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyltellanylmethyl]-2,2-dimethyl-1,3-dioxolane
CID 132519104
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282
CID 59269279
CID 59269279
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 14141015
(4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 123766397
(4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane
CID 46868038
4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanenitrile
CID 14374516
(NE)-N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylidene]hydroxylamine
CID 15252891

Frequently Asked Questions

What is the IUPAC name of N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine;hydrochloride?
The IUPAC name of N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine;hydrochloride (CID 175060692) is N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine;hydrochloride.
What is the SMILES notation for N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine;hydrochloride?
The canonical SMILES for N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine;hydrochloride is CC1(C)OCC(CN=C=N)O1.Cl.
What is the InChIKey of N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine;hydrochloride?
The InChIKey is JCJZUCNDJPCKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.ClH/c1-7(2)10-4-6(11-7)3-9-5-8;/h6,8H,3-4H2,1-2H3;1H.
What are the key properties of N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine;hydrochloride?
N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine;hydrochloride has a molecular weight of 192.65 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine;hydrochloride is sourced from PubChem (CID 175060692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).