N-benzhydryl-N'-tert-butylethane-1,2-diamine

C19H26N2 — CID 107444623

IUPACN-benzhydryl-N'-tert-butylethane-1,2-diamine
SMILESCC(C)(C)NCCNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2/c1-19(2,3)21-15-14-20-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18,20-21H,14-15H2,1-3H3
InChIKeyJJAKFAGAXKNZLJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.75
Rot. Bonds6

About N-benzhydryl-N'-tert-butylethane-1,2-diamine

N-benzhydryl-N'-tert-butylethane-1,2-diamine (PubChem CID 107444623) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-benzhydryl-N'-tert-butylethane-1,2-diamine.

Molecular Properties

Compound NameN-benzhydryl-N'-tert-butylethane-1,2-diamine
PubChem CID107444623
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-benzhydryl-N'-tert-butylethane-1,2-diamine
SMILESCC(C)(C)NCCNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2/c1-19(2,3)21-15-14-20-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18,20-21H,14-15H2,1-3H3
InChIKeyJJAKFAGAXKNZLJ-UHFFFAOYSA-N
XLogP3.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.75
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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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N'-tert-butylethane-1,2-diamine?
The IUPAC name of N-benzhydryl-N'-tert-butylethane-1,2-diamine (CID 107444623) is N-benzhydryl-N'-tert-butylethane-1,2-diamine.
What is the SMILES notation for N-benzhydryl-N'-tert-butylethane-1,2-diamine?
The canonical SMILES for N-benzhydryl-N'-tert-butylethane-1,2-diamine is CC(C)(C)NCCNC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-N'-tert-butylethane-1,2-diamine?
The InChIKey is JJAKFAGAXKNZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-19(2,3)21-15-14-20-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18,20-21H,14-15H2,1-3H3.
What are the key properties of N-benzhydryl-N'-tert-butylethane-1,2-diamine?
N-benzhydryl-N'-tert-butylethane-1,2-diamine has a molecular weight of 282.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N'-tert-butylethane-1,2-diamine is sourced from PubChem (CID 107444623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).