1-(1,4-dioxan-2-yl)-N-methylmethanamine;hydrochloride

C6H14ClNO2 — CID 66972118

IUPAC1-(1,4-dioxan-2-yl)-N-methylmethanamine;hydrochloride
SMILESCNCC1COCCO1.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-7-4-6-5-8-2-3-9-6;/h6-7H,2-5H2,1H3;1H
InChIKeyMUZNZRLDNIWRKI-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.04
Rot. Bonds2

About 1-(1,4-dioxan-2-yl)-N-methylmethanamine;hydrochloride

1-(1,4-dioxan-2-yl)-N-methylmethanamine;hydrochloride (PubChem CID 66972118) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-methylmethanamine;hydrochloride
PubChem CID66972118
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name1-(1,4-dioxan-2-yl)-N-methylmethanamine;hydrochloride
SMILESCNCC1COCCO1.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-7-4-6-5-8-2-3-9-6;/h6-7H,2-5H2,1H3;1H
InChIKeyMUZNZRLDNIWRKI-UHFFFAOYSA-N
XLogP0.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-methylmethanamine;hydrochloride (CID 66972118) is 1-(1,4-dioxan-2-yl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-methylmethanamine;hydrochloride is CNCC1COCCO1.Cl.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-methylmethanamine;hydrochloride?
The InChIKey is MUZNZRLDNIWRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-7-4-6-5-8-2-3-9-6;/h6-7H,2-5H2,1H3;1H.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-methylmethanamine;hydrochloride?
1-(1,4-dioxan-2-yl)-N-methylmethanamine;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 66972118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).