N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-5-methylpyridin-3-amine

C17H20N2 — CID 107584918

IUPACN-(2,2-dimethyl-1,3-dihydroinden-1-yl)-5-methylpyridin-3-amine
SMILESCc1cncc(NC2c3ccccc3CC2(C)C)c1
InChIInChI=1S/C17H20N2/c1-12-8-14(11-18-10-12)19-16-15-7-5-4-6-13(15)9-17(16,2)3/h4-8,10-11,16,19H,9H2,1-3H3
InChIKeyNLPFUVYTVCLYMY-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.13
Rot. Bonds2

About N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-5-methylpyridin-3-amine

N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-5-methylpyridin-3-amine (PubChem CID 107584918) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-5-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-dihydroinden-1-yl)-5-methylpyridin-3-amine
PubChem CID107584918
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-(2,2-dimethyl-1,3-dihydroinden-1-yl)-5-methylpyridin-3-amine
SMILESCc1cncc(NC2c3ccccc3CC2(C)C)c1
InChIInChI=1S/C17H20N2/c1-12-8-14(11-18-10-12)19-16-15-7-5-4-6-13(15)9-17(16,2)3/h4-8,10-11,16,19H,9H2,1-3H3
InChIKeyNLPFUVYTVCLYMY-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-5-methylpyridin-3-amine?
The IUPAC name of N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-5-methylpyridin-3-amine (CID 107584918) is N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-5-methylpyridin-3-amine.
What is the SMILES notation for N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-5-methylpyridin-3-amine?
The canonical SMILES for N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-5-methylpyridin-3-amine is Cc1cncc(NC2c3ccccc3CC2(C)C)c1.
What is the InChIKey of N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-5-methylpyridin-3-amine?
The InChIKey is NLPFUVYTVCLYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-12-8-14(11-18-10-12)19-16-15-7-5-4-6-13(15)9-17(16,2)3/h4-8,10-11,16,19H,9H2,1-3H3.
What are the key properties of N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-5-methylpyridin-3-amine?
N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-5-methylpyridin-3-amine has a molecular weight of 252.36 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-5-methylpyridin-3-amine is sourced from PubChem (CID 107584918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).