6-[(2-methylcyclopropyl)amino]hexylmercury;propane

C13H28HgN — CID 143214043

IUPAC6-[(2-methylcyclopropyl)amino]hexylmercury;propane
SMILESCC1CC1NCCCCCC[Hg].CCC
InChIInChI=1S/C10H20N.C3H8.Hg/c1-3-4-5-6-7-11-10-8-9(10)2;1-3-2;/h9-11H,1,3-8H2,2H3;3H2,1-2H3;
InChIKeyTXIKVUZGSMZKAU-UHFFFAOYSA-N
MW398.96 g/mol
LogP3.93
Rot. Bonds7

About 6-[(2-methylcyclopropyl)amino]hexylmercury;propane

6-[(2-methylcyclopropyl)amino]hexylmercury;propane (PubChem CID 143214043) has the molecular formula C13H28HgN and a molecular weight of 398.96 g/mol. Its IUPAC name is 6-[(2-methylcyclopropyl)amino]hexylmercury;propane.

Molecular Properties

Compound Name6-[(2-methylcyclopropyl)amino]hexylmercury;propane
PubChem CID143214043
Molecular FormulaC13H28HgN
Molecular Weight398.96 g/mol
Exact Mass400.19
IUPAC Name6-[(2-methylcyclopropyl)amino]hexylmercury;propane
SMILESCC1CC1NCCCCCC[Hg].CCC
InChIInChI=1S/C10H20N.C3H8.Hg/c1-3-4-5-6-7-11-10-8-9(10)2;1-3-2;/h9-11H,1,3-8H2,2H3;3H2,1-2H3;
InChIKeyTXIKVUZGSMZKAU-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.96
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-[(2-methylcyclopropyl)amino]hexylmercury;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-methylcyclopropyl)heptane-1,7-diamine
CID 62409211
2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine
CID 62936608
2-methyl-N-(3-methylsulfanylpropyl)cyclopropan-1-amine
CID 62399111
1-N-(2-methylcyclopropyl)hexane-1,5-diamine
CID 82853010
2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64752974
N-dodecyl-2,4-dimethylcyclohexan-1-amine
CID 63995317
cis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
CID 96923239
trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
CID 96923238
N-(2-methoxyethyl)-N'-(2-methylcyclopropyl)ethane-1,2-diamine
CID 79291214
(2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine
CID 93258445
3-octoxy-2-propoxy-N-propylcyclobutan-1-amine
CID 107943487
N-ethyl-2-hexoxy-3,5-dimethylcyclohexan-1-amine
CID 64752582

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylcyclopropyl)amino]hexylmercury;propane?
The IUPAC name of 6-[(2-methylcyclopropyl)amino]hexylmercury;propane (CID 143214043) is 6-[(2-methylcyclopropyl)amino]hexylmercury;propane.
What is the SMILES notation for 6-[(2-methylcyclopropyl)amino]hexylmercury;propane?
The canonical SMILES for 6-[(2-methylcyclopropyl)amino]hexylmercury;propane is CC1CC1NCCCCCC[Hg].CCC.
What is the InChIKey of 6-[(2-methylcyclopropyl)amino]hexylmercury;propane?
The InChIKey is TXIKVUZGSMZKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N.C3H8.Hg/c1-3-4-5-6-7-11-10-8-9(10)2;1-3-2;/h9-11H,1,3-8H2,2H3;3H2,1-2H3;.
What are the key properties of 6-[(2-methylcyclopropyl)amino]hexylmercury;propane?
6-[(2-methylcyclopropyl)amino]hexylmercury;propane has a molecular weight of 398.96 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylcyclopropyl)amino]hexylmercury;propane is sourced from PubChem (CID 143214043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).