N,N'-dibenzhydrylethane-1,2-diamine dichloride

C28H28Cl2N2-2 — CID 51371244

IUPACN,N'-dibenzhydrylethane-1,2-diamine dichloride
SMILES[Cl-].[Cl-].c1ccc(C(NCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28N2.2ClH/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)29-21-22-30-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;/h1-20,27-30H,21-22H2;2*1H/p-2
InChIKeyYRQCDCNQANSUPB-UHFFFAOYSA-L
MW463.45 g/mol
LogP-0.25
Rot. Bonds9

About N,N'-dibenzhydrylethane-1,2-diamine dichloride

N,N'-dibenzhydrylethane-1,2-diamine dichloride (PubChem CID 51371244) has the molecular formula C28H28Cl2N2-2 and a molecular weight of 463.45 g/mol. Its IUPAC name is N,N'-dibenzhydrylethane-1,2-diamine dichloride.

Molecular Properties

Compound NameN,N'-dibenzhydrylethane-1,2-diamine dichloride
PubChem CID51371244
Molecular FormulaC28H28Cl2N2-2
Molecular Weight463.45 g/mol
Exact Mass462.16
IUPAC NameN,N'-dibenzhydrylethane-1,2-diamine dichloride
SMILES[Cl-].[Cl-].c1ccc(C(NCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28N2.2ClH/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)29-21-22-30-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;/h1-20,27-30H,21-22H2;2*1H/p-2
InChIKeyYRQCDCNQANSUPB-UHFFFAOYSA-L
XLogP-0.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.45
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzhydryl-N'-tert-butylethane-1,2-diamine
CID 107444623
N'-benzhydrylmethanediamine
CID 142515957
N-benzhydryldecan-1-amine
CID 57251579
N-benzhydrylethanamine;ethane
CID 142974710
N-benzhydryloctan-1-amine;hydrate
CID 173441566
N-benzhydryl-2-ethylsulfanylethanamine
CID 115635448
N-benzhydrylhexan-1-amine;hydrate
CID 173442267
N-benzhydrylhexan-1-amine;hydrochloride
CID 173426900
N-[(R)-(4-methylphenyl)-phenylmethyl]propan-1-amine
CID 93032197
N-benzhydryldecan-1-amine;hydrochloride
CID 173427301
3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine
CID 60697579
2-[[(3-methylphenyl)-phenylmethyl]amino]ethanol
CID 144916597

Frequently Asked Questions

What is the IUPAC name of N,N'-dibenzhydrylethane-1,2-diamine dichloride?
The IUPAC name of N,N'-dibenzhydrylethane-1,2-diamine dichloride (CID 51371244) is N,N'-dibenzhydrylethane-1,2-diamine dichloride.
What is the SMILES notation for N,N'-dibenzhydrylethane-1,2-diamine dichloride?
The canonical SMILES for N,N'-dibenzhydrylethane-1,2-diamine dichloride is [Cl-].[Cl-].c1ccc(C(NCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N'-dibenzhydrylethane-1,2-diamine dichloride?
The InChIKey is YRQCDCNQANSUPB-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H28N2.2ClH/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)29-21-22-30-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;/h1-20,27-30H,21-22H2;2*1H/p-2.
What are the key properties of N,N'-dibenzhydrylethane-1,2-diamine dichloride?
N,N'-dibenzhydrylethane-1,2-diamine dichloride has a molecular weight of 463.45 g/mol, XLogP of -0.25, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzhydrylethane-1,2-diamine dichloride is sourced from PubChem (CID 51371244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).