N',N'-dibenzhydrylpropane-1,3-diamine

C29H30N2 — CID 139912939

IUPACN',N'-dibenzhydrylpropane-1,3-diamine
SMILESNCCCN(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30N2/c30-22-13-23-31(28(24-14-5-1-6-15-24)25-16-7-2-8-17-25)29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21,28-29H,13,22-23,30H2
InChIKeyNQOOSIIHUDQNGU-UHFFFAOYSA-N
MW406.57 g/mol
LogP6.22
Rot. Bonds9

About N',N'-dibenzhydrylpropane-1,3-diamine

N',N'-dibenzhydrylpropane-1,3-diamine (PubChem CID 139912939) has the molecular formula C29H30N2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N',N'-dibenzhydrylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dibenzhydrylpropane-1,3-diamine
PubChem CID139912939
Molecular FormulaC29H30N2
Molecular Weight406.57 g/mol
Exact Mass406.24
IUPAC NameN',N'-dibenzhydrylpropane-1,3-diamine
SMILESNCCCN(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30N2/c30-22-13-23-31(28(24-14-5-1-6-15-24)25-16-7-2-8-17-25)29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21,28-29H,13,22-23,30H2
InChIKeyNQOOSIIHUDQNGU-UHFFFAOYSA-N
XLogP6.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N',N'-dibenzhydrylpropane-1,3-diamine?
The IUPAC name of N',N'-dibenzhydrylpropane-1,3-diamine (CID 139912939) is N',N'-dibenzhydrylpropane-1,3-diamine.
What is the SMILES notation for N',N'-dibenzhydrylpropane-1,3-diamine?
The canonical SMILES for N',N'-dibenzhydrylpropane-1,3-diamine is NCCCN(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N',N'-dibenzhydrylpropane-1,3-diamine?
The InChIKey is NQOOSIIHUDQNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2/c30-22-13-23-31(28(24-14-5-1-6-15-24)25-16-7-2-8-17-25)29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21,28-29H,13,22-23,30H2.
What are the key properties of N',N'-dibenzhydrylpropane-1,3-diamine?
N',N'-dibenzhydrylpropane-1,3-diamine has a molecular weight of 406.57 g/mol, XLogP of 6.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibenzhydrylpropane-1,3-diamine is sourced from PubChem (CID 139912939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).