N-(2-methylpropyl)-1-[2-(2-methylpropylamino)naphthalen-1-yl]naphthalen-2-amine

C28H32N2 — CID 13480698

IUPACN-(2-methylpropyl)-1-[2-(2-methylpropylamino)naphthalen-1-yl]naphthalen-2-amine
SMILESCC(C)CNc1ccc2ccccc2c1-c1c(NCC(C)C)ccc2ccccc12
InChIInChI=1S/C28H32N2/c1-19(2)17-29-25-15-13-21-9-5-7-11-23(21)27(25)28-24-12-8-6-10-22(24)14-16-26(28)30-18-20(3)4/h5-16,19-20,29-30H,17-18H2,1-4H3
InChIKeyITNMOEMTMHSOTP-UHFFFAOYSA-N
MW396.58 g/mol
LogP7.80
Rot. Bonds7

About N-(2-methylpropyl)-1-[2-(2-methylpropylamino)naphthalen-1-yl]naphthalen-2-amine

N-(2-methylpropyl)-1-[2-(2-methylpropylamino)naphthalen-1-yl]naphthalen-2-amine (PubChem CID 13480698) has the molecular formula C28H32N2 and a molecular weight of 396.58 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-[2-(2-methylpropylamino)naphthalen-1-yl]naphthalen-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-[2-(2-methylpropylamino)naphthalen-1-yl]naphthalen-2-amine
PubChem CID13480698
Molecular FormulaC28H32N2
Molecular Weight396.58 g/mol
Exact Mass396.26
IUPAC NameN-(2-methylpropyl)-1-[2-(2-methylpropylamino)naphthalen-1-yl]naphthalen-2-amine
SMILESCC(C)CNc1ccc2ccccc2c1-c1c(NCC(C)C)ccc2ccccc12
InChIInChI=1S/C28H32N2/c1-19(2)17-29-25-15-13-21-9-5-7-11-23(21)27(25)28-24-12-8-6-10-22(24)14-16-26(28)30-18-20(3)4/h5-16,19-20,29-30H,17-18H2,1-4H3
InChIKeyITNMOEMTMHSOTP-UHFFFAOYSA-N
XLogP7.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 57.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-[2-(2-methylpropylamino)naphthalen-1-yl]naphthalen-2-amine?
The IUPAC name of N-(2-methylpropyl)-1-[2-(2-methylpropylamino)naphthalen-1-yl]naphthalen-2-amine (CID 13480698) is N-(2-methylpropyl)-1-[2-(2-methylpropylamino)naphthalen-1-yl]naphthalen-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-1-[2-(2-methylpropylamino)naphthalen-1-yl]naphthalen-2-amine?
The canonical SMILES for N-(2-methylpropyl)-1-[2-(2-methylpropylamino)naphthalen-1-yl]naphthalen-2-amine is CC(C)CNc1ccc2ccccc2c1-c1c(NCC(C)C)ccc2ccccc12.
What is the InChIKey of N-(2-methylpropyl)-1-[2-(2-methylpropylamino)naphthalen-1-yl]naphthalen-2-amine?
The InChIKey is ITNMOEMTMHSOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2/c1-19(2)17-29-25-15-13-21-9-5-7-11-23(21)27(25)28-24-12-8-6-10-22(24)14-16-26(28)30-18-20(3)4/h5-16,19-20,29-30H,17-18H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-1-[2-(2-methylpropylamino)naphthalen-1-yl]naphthalen-2-amine?
N-(2-methylpropyl)-1-[2-(2-methylpropylamino)naphthalen-1-yl]naphthalen-2-amine has a molecular weight of 396.58 g/mol, XLogP of 7.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-[2-(2-methylpropylamino)naphthalen-1-yl]naphthalen-2-amine is sourced from PubChem (CID 13480698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).