(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine

C22H32N2 — CID 100914664

IUPAC(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
SMILESCCCCN[C@H](c1ccccc1)[C@H](NCCCC)c1ccccc1
InChIInChI=1S/C22H32N2/c1-3-5-17-23-21(19-13-9-7-10-14-19)22(24-18-6-4-2)20-15-11-8-12-16-20/h7-16,21-24H,3-6,17-18H2,1-2H3/t21-,22-/m1/s1
InChIKeyXVVUNBWSRDKSCV-FGZHOGPDSA-N
MW324.51 g/mol
LogP5.25
Rot. Bonds11

About (1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine

(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine (PubChem CID 100914664) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is (1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine.

Molecular Properties

Compound Name(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
PubChem CID100914664
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
SMILESCCCCN[C@H](c1ccccc1)[C@H](NCCCC)c1ccccc1
InChIInChI=1S/C22H32N2/c1-3-5-17-23-21(19-13-9-7-10-14-19)22(24-18-6-4-2)20-15-11-8-12-16-20/h7-16,21-24H,3-6,17-18H2,1-2H3/t21-,22-/m1/s1
InChIKeyXVVUNBWSRDKSCV-FGZHOGPDSA-N
XLogP5.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.25
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-[phenyl(phosphanyl)methyl]butan-1-amine
CID 176995195
disodium;[(octadecylamino)-phenylmethyl]-trioxidophosphanium
CID 101225675
N-benzhydryldecan-1-amine
CID 57251579
(1R,2R)-2-(butylamino)-1-phenylpropane-1-thiol
CID 129045615
2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine
CID 64610486
N-benzhydrylhexan-1-amine;hydrate
CID 173442267
N-benzhydryloctan-1-amine;hydrate
CID 173441566
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-benzhydrylhexan-1-amine;hydrochloride
CID 173426900
N-benzhydryldecan-1-amine;hydrochloride
CID 173427301
2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 64610891
2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814687

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine?
The IUPAC name of (1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine (CID 100914664) is (1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine.
What is the SMILES notation for (1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine?
The canonical SMILES for (1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine is CCCCN[C@H](c1ccccc1)[C@H](NCCCC)c1ccccc1.
What is the InChIKey of (1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine?
The InChIKey is XVVUNBWSRDKSCV-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H32N2/c1-3-5-17-23-21(19-13-9-7-10-14-19)22(24-18-6-4-2)20-15-11-8-12-16-20/h7-16,21-24H,3-6,17-18H2,1-2H3/t21-,22-/m1/s1.
What are the key properties of (1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine?
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine has a molecular weight of 324.51 g/mol, XLogP of 5.25, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine is sourced from PubChem (CID 100914664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).