3,3-diphenyl-N,N-di(propan-2-yl)propan-1-amine

C21H29N — CID 22262

💊View drug profile → diisopromine
IUPAC3,3-diphenyl-N,N-di(propan-2-yl)propan-1-amine
SMILESCC(C)N(CCC(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C21H29N/c1-17(2)22(18(3)4)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,21H,15-16H2,1-4H3
InChIKeyYBJKOPHEJOMRMN-UHFFFAOYSA-N
MW295.47 g/mol
LogP5.33
Rot. Bonds7

About 3,3-diphenyl-N,N-di(propan-2-yl)propan-1-amine

3,3-diphenyl-N,N-di(propan-2-yl)propan-1-amine (PubChem CID 22262) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is 3,3-diphenyl-N,N-di(propan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3,3-diphenyl-N,N-di(propan-2-yl)propan-1-amine
PubChem CID22262
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC Name3,3-diphenyl-N,N-di(propan-2-yl)propan-1-amine
SMILESCC(C)N(CCC(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C21H29N/c1-17(2)22(18(3)4)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,21H,15-16H2,1-4H3
InChIKeyYBJKOPHEJOMRMN-UHFFFAOYSA-N
XLogP5.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N,N-di(propan-2-yl)propan-1-amine?
The IUPAC name of 3,3-diphenyl-N,N-di(propan-2-yl)propan-1-amine (CID 22262) is 3,3-diphenyl-N,N-di(propan-2-yl)propan-1-amine.
What is the SMILES notation for 3,3-diphenyl-N,N-di(propan-2-yl)propan-1-amine?
The canonical SMILES for 3,3-diphenyl-N,N-di(propan-2-yl)propan-1-amine is CC(C)N(CCC(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of 3,3-diphenyl-N,N-di(propan-2-yl)propan-1-amine?
The InChIKey is YBJKOPHEJOMRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N/c1-17(2)22(18(3)4)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,21H,15-16H2,1-4H3.
What are the key properties of 3,3-diphenyl-N,N-di(propan-2-yl)propan-1-amine?
3,3-diphenyl-N,N-di(propan-2-yl)propan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N,N-di(propan-2-yl)propan-1-amine is sourced from PubChem (CID 22262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).