N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyridin-3-amine

C17H20N2 — CID 43147323

IUPACN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyridin-3-amine
SMILESCC1(C)CCC(Nc2cccnc2)c2ccccc21
InChIInChI=1S/C17H20N2/c1-17(2)10-9-16(14-7-3-4-8-15(14)17)19-13-6-5-11-18-12-13/h3-8,11-12,16,19H,9-10H2,1-2H3
InChIKeyNRQABKDPZGRXNC-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.31
Rot. Bonds2

About N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyridin-3-amine

N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyridin-3-amine (PubChem CID 43147323) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyridin-3-amine
PubChem CID43147323
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyridin-3-amine
SMILESCC1(C)CCC(Nc2cccnc2)c2ccccc21
InChIInChI=1S/C17H20N2/c1-17(2)10-9-16(14-7-3-4-8-15(14)17)19-13-6-5-11-18-12-13/h3-8,11-12,16,19H,9-10H2,1-2H3
InChIKeyNRQABKDPZGRXNC-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyridin-3-amine?
The IUPAC name of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyridin-3-amine (CID 43147323) is N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyridin-3-amine?
The canonical SMILES for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyridin-3-amine is CC1(C)CCC(Nc2cccnc2)c2ccccc21.
What is the InChIKey of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyridin-3-amine?
The InChIKey is NRQABKDPZGRXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-17(2)10-9-16(14-7-3-4-8-15(14)17)19-13-6-5-11-18-12-13/h3-8,11-12,16,19H,9-10H2,1-2H3.
What are the key properties of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyridin-3-amine?
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyridin-3-amine has a molecular weight of 252.36 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyridin-3-amine is sourced from PubChem (CID 43147323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).