magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride

C18H39Cl2MgN — CID 175293817

IUPACmagnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride
SMILESCCCCCC(CCC)CNCC(CC)CCCC.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C18H39N.2ClH.Mg/c1-5-9-11-14-18(12-7-3)16-19-15-17(8-4)13-10-6-2;;;/h17-19H,5-16H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyQMOYVTIJUPIIGR-UHFFFAOYSA-L
MW364.73 g/mol
LogP-0.58
Rot. Bonds14

About magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride

magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride (PubChem CID 175293817) has the molecular formula C18H39Cl2MgN and a molecular weight of 364.73 g/mol. Its IUPAC name is magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride.

Molecular Properties

Compound Namemagnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride
PubChem CID175293817
Molecular FormulaC18H39Cl2MgN
Molecular Weight364.73 g/mol
Exact Mass363.23
IUPAC Namemagnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride
SMILESCCCCCC(CCC)CNCC(CC)CCCC.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C18H39N.2ClH.Mg/c1-5-9-11-14-18(12-7-3)16-19-15-17(8-4)13-10-6-2;;;/h17-19H,5-16H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyQMOYVTIJUPIIGR-UHFFFAOYSA-L
XLogP-0.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.73
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride 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

magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine
CID 141299280
N-(2-methylpropyl)-2-propylheptan-1-amine
CID 63523290
4-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
N-ethyl-2-propylnonan-1-amine
CID 63498677
2-ethyl-N-pentylhexan-1-amine
CID 43081963
N,2-diethylhexan-1-amine
CID 14272988
5-ethylnonane;5-propylnonane
CID 157441807
N,2-dipropyloctan-1-amine
CID 63497286
(2S,4S)-N-[(2S,4S)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464990
(2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464987

Frequently Asked Questions

What is the IUPAC name of magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride?
The IUPAC name of magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride (CID 175293817) is magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride.
What is the SMILES notation for magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride?
The canonical SMILES for magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride is CCCCCC(CCC)CNCC(CC)CCCC.[Cl-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride?
The InChIKey is QMOYVTIJUPIIGR-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H39N.2ClH.Mg/c1-5-9-11-14-18(12-7-3)16-19-15-17(8-4)13-10-6-2;;;/h17-19H,5-16H2,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride?
magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride has a molecular weight of 364.73 g/mol, XLogP of -0.58, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride is sourced from PubChem (CID 175293817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).