CID 135029699

C17H16N2 — CID 135029699

IUPAC—
SMILESCc1ccccc1N1[C]N(c2ccccc2C)C=C1
InChIInChI=1S/C17H16N2/c1-14-7-3-5-9-16(14)18-11-12-19(13-18)17-10-6-4-8-15(17)2/h3-12H,1-2H3
InChIKeyNDCYNBLEJIRLBG-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.10
Rot. Bonds2

About CID 135029699

CID 135029699 (PubChem CID 135029699) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol.

Molecular Properties

Compound NameCID 135029699
PubChem CID135029699
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name—
SMILESCc1ccccc1N1[C]N(c2ccccc2C)C=C1
InChIInChI=1S/C17H16N2/c1-14-7-3-5-9-16(14)18-11-12-19(13-18)17-10-6-4-8-15(17)2/h3-12H,1-2H3
InChIKeyNDCYNBLEJIRLBG-UHFFFAOYSA-N
XLogP4.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1,2-xylene
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1-(2-methylphenyl)-3,6-dihydro-2H-pyridine
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1,3-bis(2-methylphenyl)imidazolidine;ethane
CID 145329565
5,5',7,7'-tetrakis(2-methylphenyl)-6,6'-spirobi[benzo[d][1,3,2]benzodiazasilepine]
CID 58249872
1-(2-methylphenyl)azetidine;hydrochloride
CID 176582976
2-[2-methyl-3-(2-methylphenyl)-2H-benzimidazol-1-yl]aniline
CID 123952526
2-(2-methylphenyl)-2,5-diazabicyclo[2.2.1]heptane
CID 4152786
1,2-xylene;zirconium
CID 174354618
vanadium;1,2-xylene
CID 143581691
1,2-xylene;trihydrochloride
CID 70594732

Frequently Asked Questions

What is the IUPAC name of CID 135029699?
The IUPAC name of CID 135029699 (CID 135029699) is not available.
What is the SMILES notation for CID 135029699?
The canonical SMILES for CID 135029699 is Cc1ccccc1N1[C]N(c2ccccc2C)C=C1.
What is the InChIKey of CID 135029699?
The InChIKey is NDCYNBLEJIRLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-14-7-3-5-9-16(14)18-11-12-19(13-18)17-10-6-4-8-15(17)2/h3-12H,1-2H3.
What are the key properties of CID 135029699?
CID 135029699 has a molecular weight of 248.33 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135029699 is sourced from PubChem (CID 135029699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).