2-N-[2,6-di(propan-2-yl)phenyl]-3-N-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2,3-diamine

C32H45N3 — CID 168763290

IUPAC2-N-[2,6-di(propan-2-yl)phenyl]-3-N-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2,3-diamine
SMILESCC(C)c1cc(C(C)C)c(Nc2cccnc2Nc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C32H45N3/c1-19(2)24-17-27(22(7)8)31(28(18-24)23(9)10)34-29-15-12-16-33-32(29)35-30-25(20(3)4)13-11-14-26(30)21(5)6/h11-23,34H,1-10H3,(H,33,35)
InChIKeyASFMDQPBNCSNQW-UHFFFAOYSA-N
MW471.73 g/mol
LogP10.19
Rot. Bonds9

About 2-N-[2,6-di(propan-2-yl)phenyl]-3-N-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2,3-diamine

2-N-[2,6-di(propan-2-yl)phenyl]-3-N-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2,3-diamine (PubChem CID 168763290) has the molecular formula C32H45N3 and a molecular weight of 471.73 g/mol. Its IUPAC name is 2-N-[2,6-di(propan-2-yl)phenyl]-3-N-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[2,6-di(propan-2-yl)phenyl]-3-N-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2,3-diamine
PubChem CID168763290
Molecular FormulaC32H45N3
Molecular Weight471.73 g/mol
Exact Mass471.36
IUPAC Name2-N-[2,6-di(propan-2-yl)phenyl]-3-N-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2,3-diamine
SMILESCC(C)c1cc(C(C)C)c(Nc2cccnc2Nc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C32H45N3/c1-19(2)24-17-27(22(7)8)31(28(18-24)23(9)10)34-29-15-12-16-33-32(29)35-30-25(20(3)4)13-11-14-26(30)21(5)6/h11-23,34H,1-10H3,(H,33,35)
InChIKeyASFMDQPBNCSNQW-UHFFFAOYSA-N
XLogP10.19
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.73
LogP ≤ 510.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine
CID 153406520
2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline
CID 102529108
N-(2-methylphosphanylphenyl)-2,6-di(propan-2-yl)aniline
CID 58961695
copper;N'-(pyridin-2-ylmethyl)-N'-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride
CID 18441251
3-[(1S)-1-aminoethyl]-N-methylpyridin-2-amine
CID 130738864
4-N-(2-chloro-3-pyridinyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134754
N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline
CID 87946949
2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-phenylsulfanylphenyl)benzene-1,2-diamine
CID 141233352
6-chloro-N-[2,6-di(propan-2-yl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-amine
CID 135377067
2-N,3-N-diphenylpyridine-2,3-diamine
CID 161485713
cobalt(2+);N-(2,6-dimethylphenyl)-N'-(pyridin-2-ylmethyl)-N'-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]ethane-1,2-diamine;dibromide
CID 18441636
1-[2,4-di(propan-2-yl)phenyl]-2-(2-propan-2-ylphenyl)hydrazine
CID 57083210

Frequently Asked Questions

What is the IUPAC name of 2-N-[2,6-di(propan-2-yl)phenyl]-3-N-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2,3-diamine?
The IUPAC name of 2-N-[2,6-di(propan-2-yl)phenyl]-3-N-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2,3-diamine (CID 168763290) is 2-N-[2,6-di(propan-2-yl)phenyl]-3-N-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[2,6-di(propan-2-yl)phenyl]-3-N-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[2,6-di(propan-2-yl)phenyl]-3-N-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2,3-diamine is CC(C)c1cc(C(C)C)c(Nc2cccnc2Nc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1.
What is the InChIKey of 2-N-[2,6-di(propan-2-yl)phenyl]-3-N-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2,3-diamine?
The InChIKey is ASFMDQPBNCSNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N3/c1-19(2)24-17-27(22(7)8)31(28(18-24)23(9)10)34-29-15-12-16-33-32(29)35-30-25(20(3)4)13-11-14-26(30)21(5)6/h11-23,34H,1-10H3,(H,33,35).
What are the key properties of 2-N-[2,6-di(propan-2-yl)phenyl]-3-N-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2,3-diamine?
2-N-[2,6-di(propan-2-yl)phenyl]-3-N-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2,3-diamine has a molecular weight of 471.73 g/mol, XLogP of 10.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2,6-di(propan-2-yl)phenyl]-3-N-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2,3-diamine is sourced from PubChem (CID 168763290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).