N,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine

C29H30N2 — CID 20668858

IUPACN,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine
SMILESCN(c1ccccc1)C(CC(c1ccccc1)N(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30N2/c1-30(26-19-11-5-12-20-26)28(24-15-7-3-8-16-24)23-29(25-17-9-4-10-18-25)31(2)27-21-13-6-14-22-27/h3-22,28-29H,23H2,1-2H3
InChIKeyXXIZOSFETKEXIB-UHFFFAOYSA-N
MW406.57 g/mol
LogP7.13
Rot. Bonds8

About N,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine

N,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine (PubChem CID 20668858) has the molecular formula C29H30N2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine
PubChem CID20668858
Molecular FormulaC29H30N2
Molecular Weight406.57 g/mol
Exact Mass406.24
IUPAC NameN,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine
SMILESCN(c1ccccc1)C(CC(c1ccccc1)N(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30N2/c1-30(26-19-11-5-12-20-26)28(24-15-7-3-8-16-24)23-29(25-17-9-4-10-18-25)31(2)27-21-13-6-14-22-27/h3-22,28-29H,23H2,1-2H3
InChIKeyXXIZOSFETKEXIB-UHFFFAOYSA-N
XLogP7.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23457999
1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine
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(2R)-2-(dimethylamino)-2-phenylethanol
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N,N-dimethyl-1-phenylpropan-1-amine;ethane
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(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
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3-(N-methylanilino)butanoic acid
CID 72755664
1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 79983171
N,N',N'-trimethyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 70532462
1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine
CID 143778678
(1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine
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(2R)-2-[amino(methyl)amino]-2-phenylethanol
CID 11693961

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine (CID 20668858) is N,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine is CN(c1ccccc1)C(CC(c1ccccc1)N(C)c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine?
The InChIKey is XXIZOSFETKEXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2/c1-30(26-19-11-5-12-20-26)28(24-15-7-3-8-16-24)23-29(25-17-9-4-10-18-25)31(2)27-21-13-6-14-22-27/h3-22,28-29H,23H2,1-2H3.
What are the key properties of N,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine?
N,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine has a molecular weight of 406.57 g/mol, XLogP of 7.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine is sourced from PubChem (CID 20668858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).