N-methoxy-N-methylmethanamine;5-methyl-1,2,3,4-tetrahydronaphthalene;oxirane;hydrochloride

C16H28ClNO2 — CID 18314183

IUPACN-methoxy-N-methylmethanamine;5-methyl-1,2,3,4-tetrahydronaphthalene;oxirane;hydrochloride
SMILESC1CO1.CON(C)C.Cc1cccc2c1CCCC2.Cl
InChIInChI=1S/C11H14.C3H9NO.C2H4O.ClH/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-4(2)5-3;1-2-3-1;/h4-5,7H,2-3,6,8H2,1H3;1-3H3;1-2H2;1H
InChIKeyQIHOTUFCMGXVSL-UHFFFAOYSA-N
MW301.86 g/mol
LogP3.42
Rot. Bonds1

About N-methoxy-N-methylmethanamine;5-methyl-1,2,3,4-tetrahydronaphthalene;oxirane;hydrochloride

N-methoxy-N-methylmethanamine;5-methyl-1,2,3,4-tetrahydronaphthalene;oxirane;hydrochloride (PubChem CID 18314183) has the molecular formula C16H28ClNO2 and a molecular weight of 301.86 g/mol. Its IUPAC name is N-methoxy-N-methylmethanamine;5-methyl-1,2,3,4-tetrahydronaphthalene;oxirane;hydrochloride.

Molecular Properties

Compound NameN-methoxy-N-methylmethanamine;5-methyl-1,2,3,4-tetrahydronaphthalene;oxirane;hydrochloride
PubChem CID18314183
Molecular FormulaC16H28ClNO2
Molecular Weight301.86 g/mol
Exact Mass301.18
IUPAC NameN-methoxy-N-methylmethanamine;5-methyl-1,2,3,4-tetrahydronaphthalene;oxirane;hydrochloride
SMILESC1CO1.CON(C)C.Cc1cccc2c1CCCC2.Cl
InChIInChI=1S/C11H14.C3H9NO.C2H4O.ClH/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-4(2)5-3;1-2-3-1;/h4-5,7H,2-3,6,8H2,1H3;1-3H3;1-2H2;1H
InChIKeyQIHOTUFCMGXVSL-UHFFFAOYSA-N
XLogP3.42
TPSA25.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methylmethanamine;5-methyl-1,2,3,4-tetrahydronaphthalene;oxirane;hydrochloride?
The IUPAC name of N-methoxy-N-methylmethanamine;5-methyl-1,2,3,4-tetrahydronaphthalene;oxirane;hydrochloride (CID 18314183) is N-methoxy-N-methylmethanamine;5-methyl-1,2,3,4-tetrahydronaphthalene;oxirane;hydrochloride.
What is the SMILES notation for N-methoxy-N-methylmethanamine;5-methyl-1,2,3,4-tetrahydronaphthalene;oxirane;hydrochloride?
The canonical SMILES for N-methoxy-N-methylmethanamine;5-methyl-1,2,3,4-tetrahydronaphthalene;oxirane;hydrochloride is C1CO1.CON(C)C.Cc1cccc2c1CCCC2.Cl.
What is the InChIKey of N-methoxy-N-methylmethanamine;5-methyl-1,2,3,4-tetrahydronaphthalene;oxirane;hydrochloride?
The InChIKey is QIHOTUFCMGXVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.C3H9NO.C2H4O.ClH/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-4(2)5-3;1-2-3-1;/h4-5,7H,2-3,6,8H2,1H3;1-3H3;1-2H2;1H.
What are the key properties of N-methoxy-N-methylmethanamine;5-methyl-1,2,3,4-tetrahydronaphthalene;oxirane;hydrochloride?
N-methoxy-N-methylmethanamine;5-methyl-1,2,3,4-tetrahydronaphthalene;oxirane;hydrochloride has a molecular weight of 301.86 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methylmethanamine;5-methyl-1,2,3,4-tetrahydronaphthalene;oxirane;hydrochloride is sourced from PubChem (CID 18314183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).