[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury

C7H15HgN2 — CID 144727808

IUPAC[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury
SMILESCN([Hg])CC1CCN(C)C1
InChIInChI=1S/C7H15N2.Hg/c1-8-5-7-3-4-9(2)6-7;/h7H,3-6H2,1-2H3;/q-1;+1
InChIKeyBBWTWFXQXCWWDN-UHFFFAOYSA-N
MW327.80 g/mol
LogP0.33
Rot. Bonds2

About [methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury

[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury (PubChem CID 144727808) has the molecular formula C7H15HgN2 and a molecular weight of 327.80 g/mol. Its IUPAC name is [methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury.

Molecular Properties

Compound Name[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury
PubChem CID144727808
Molecular FormulaC7H15HgN2
Molecular Weight327.80 g/mol
Exact Mass329.09
IUPAC Name[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury
SMILESCN([Hg])CC1CCN(C)C1
InChIInChI=1S/C7H15N2.Hg/c1-8-5-7-3-4-9(2)6-7;/h7H,3-6H2,1-2H3;/q-1;+1
InChIKeyBBWTWFXQXCWWDN-UHFFFAOYSA-N
XLogP0.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.80
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
CID 115612489
2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 66220841
3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol
CID 115137663
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]thiourea
CID 63276177
N-(methoxymethyl)-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115258790
3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63274032
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-one
CID 63273547
N,N-dimethyl-1-(1-methylazepan-3-yl)methanamine
CID 121402940
(3R)-3-(ethoxymethyl)-1-methylpyrrolidine
CID 58134293
N-(2-methoxyethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]formamide
CID 177216704

Frequently Asked Questions

What is the IUPAC name of [methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury?
The IUPAC name of [methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury (CID 144727808) is [methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury.
What is the SMILES notation for [methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury?
The canonical SMILES for [methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury is CN([Hg])CC1CCN(C)C1.
What is the InChIKey of [methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury?
The InChIKey is BBWTWFXQXCWWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2.Hg/c1-8-5-7-3-4-9(2)6-7;/h7H,3-6H2,1-2H3;/q-1;+1.
What are the key properties of [methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury?
[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury has a molecular weight of 327.80 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury is sourced from PubChem (CID 144727808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).