magnesium;N-benzyl-N-methylpropan-1-amine;chloride

C11H16ClMgN — CID 88793658

IUPACmagnesium;N-benzyl-N-methylpropan-1-amine;chloride
SMILES[CH2-]CCN(C)Cc1ccccc1.[Cl-].[Mg+2]
InChIInChI=1S/C11H16N.ClH.Mg/c1-3-9-12(2)10-11-7-5-4-6-8-11;;/h4-8H,1,3,9-10H2,2H3;1H;/q-1;;+2/p-1
InChIKeyFESIIRWPWGRQDE-UHFFFAOYSA-M
MW222.01 g/mol
LogP-1.03
Rot. Bonds4

About magnesium;N-benzyl-N-methylpropan-1-amine;chloride

magnesium;N-benzyl-N-methylpropan-1-amine;chloride (PubChem CID 88793658) has the molecular formula C11H16ClMgN and a molecular weight of 222.01 g/mol. Its IUPAC name is magnesium;N-benzyl-N-methylpropan-1-amine;chloride.

Molecular Properties

Compound Namemagnesium;N-benzyl-N-methylpropan-1-amine;chloride
PubChem CID88793658
Molecular FormulaC11H16ClMgN
Molecular Weight222.01 g/mol
Exact Mass221.08
IUPAC Namemagnesium;N-benzyl-N-methylpropan-1-amine;chloride
SMILES[CH2-]CCN(C)Cc1ccccc1.[Cl-].[Mg+2]
InChIInChI=1S/C11H16N.ClH.Mg/c1-3-9-12(2)10-11-7-5-4-6-8-11;;/h4-8H,1,3,9-10H2,2H3;1H;/q-1;;+2/p-1
InChIKeyFESIIRWPWGRQDE-UHFFFAOYSA-M
XLogP-1.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.01
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
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N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-benzyl-N-methylbut-3-en-1-amine
CID 10702410
9-[benzyl(methyl)amino]nonane-1-thiol
CID 105344021
N-benzyl-N-methylpent-3-yn-1-amine
CID 145321496
1-benzyl-1,2,2-trimethylhydrazine
CID 23468062
N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
CID 71592559
N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine
CID 141125975
2-[2-[benzyl(methyl)amino]ethyl]phenol
CID 70480829

Frequently Asked Questions

What is the IUPAC name of magnesium;N-benzyl-N-methylpropan-1-amine;chloride?
The IUPAC name of magnesium;N-benzyl-N-methylpropan-1-amine;chloride (CID 88793658) is magnesium;N-benzyl-N-methylpropan-1-amine;chloride.
What is the SMILES notation for magnesium;N-benzyl-N-methylpropan-1-amine;chloride?
The canonical SMILES for magnesium;N-benzyl-N-methylpropan-1-amine;chloride is [CH2-]CCN(C)Cc1ccccc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;N-benzyl-N-methylpropan-1-amine;chloride?
The InChIKey is FESIIRWPWGRQDE-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16N.ClH.Mg/c1-3-9-12(2)10-11-7-5-4-6-8-11;;/h4-8H,1,3,9-10H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;N-benzyl-N-methylpropan-1-amine;chloride?
magnesium;N-benzyl-N-methylpropan-1-amine;chloride has a molecular weight of 222.01 g/mol, XLogP of -1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;N-benzyl-N-methylpropan-1-amine;chloride is sourced from PubChem (CID 88793658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).