1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine;dihydrochloride

C18H26Cl2N2 — CID 19823569

IUPAC1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine;dihydrochloride
SMILESCN(CC(C)(C)N)C(c1ccccc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H24N2.2ClH/c1-18(2,19)14-20(3)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;;/h4-13,17H,14,19H2,1-3H3;2*1H
InChIKeyJCPOOBWEDMGHLU-UHFFFAOYSA-N
MW341.33 g/mol
LogP4.29
Rot. Bonds5

About 1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine;dihydrochloride

1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine;dihydrochloride (PubChem CID 19823569) has the molecular formula C18H26Cl2N2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine;dihydrochloride
PubChem CID19823569
Molecular FormulaC18H26Cl2N2
Molecular Weight341.33 g/mol
Exact Mass340.15
IUPAC Name1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine;dihydrochloride
SMILESCN(CC(C)(C)N)C(c1ccccc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H24N2.2ClH/c1-18(2,19)14-20(3)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;;/h4-13,17H,14,19H2,1-3H3;2*1H
InChIKeyJCPOOBWEDMGHLU-UHFFFAOYSA-N
XLogP4.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine;dihydrochloride?
The IUPAC name of 1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine;dihydrochloride (CID 19823569) is 1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine;dihydrochloride.
What is the SMILES notation for 1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine;dihydrochloride?
The canonical SMILES for 1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine;dihydrochloride is CN(CC(C)(C)N)C(c1ccccc1)c1ccccc1.Cl.Cl.
What is the InChIKey of 1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine;dihydrochloride?
The InChIKey is JCPOOBWEDMGHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2.2ClH/c1-18(2,19)14-20(3)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;;/h4-13,17H,14,19H2,1-3H3;2*1H.
What are the key properties of 1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine;dihydrochloride?
1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine;dihydrochloride has a molecular weight of 341.33 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzhydryl-1-N,2-dimethylpropane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 19823569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).