2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride

C5H13Cl2NO — CID 173012465

IUPAC2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride
SMILESCNC.Cl.ClCC1CO1
InChIInChI=1S/C3H5ClO.C2H7N.ClH/c4-1-3-2-5-3;1-3-2;/h3H,1-2H2;3H,1-2H3;1H
InChIKeyIPKQYTFIXGXABT-UHFFFAOYSA-N
MW174.07 g/mol
LogP0.88
Rot. Bonds1

About 2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride

2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride (PubChem CID 173012465) has the molecular formula C5H13Cl2NO and a molecular weight of 174.07 g/mol. Its IUPAC name is 2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride
PubChem CID173012465
Molecular FormulaC5H13Cl2NO
Molecular Weight174.07 g/mol
Exact Mass173.04
IUPAC Name2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride
SMILESCNC.Cl.ClCC1CO1
InChIInChI=1S/C3H5ClO.C2H7N.ClH/c4-1-3-2-5-3;1-3-2;/h3H,1-2H2;3H,1-2H3;1H
InChIKeyIPKQYTFIXGXABT-UHFFFAOYSA-N
XLogP0.88
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.07
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(chloro(113C)methyl)(2,3-13C2)oxirane
CID 76973011
butane;2-(chloromethyl)oxirane
CID 174952392
2-(chloromethyl)oxirane;pentachloro-λ5-stibane
CID 91666506
(2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane
CID 55301636
2-(chloromethyl)oxirane;oxiran-2-ylmethanamine
CID 166746758
2-(chloromethyl)oxirane;2-(2-hydroxyethylamino)ethanol
CID 6454463
2-(chloromethyl)oxirane;dihydroxy(oxo)silane
CID 88521113
2-(chloromethyl)oxirane;isocyanic acid
CID 174878236
5-(chloromethyl)-1,4-dioxane-2,3-diol
CID 15606719
4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane
CID 67926548
4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane
CID 22596460
1-chloro-3-methoxy-2-methylpropane;2-(chloromethyl)oxirane
CID 160539452

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride?
The IUPAC name of 2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride (CID 173012465) is 2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride?
The canonical SMILES for 2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride is CNC.Cl.ClCC1CO1.
What is the InChIKey of 2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride?
The InChIKey is IPKQYTFIXGXABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO.C2H7N.ClH/c4-1-3-2-5-3;1-3-2;/h3H,1-2H2;3H,1-2H3;1H.
What are the key properties of 2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride?
2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride has a molecular weight of 174.07 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride is sourced from PubChem (CID 173012465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).