N-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine

C17H23N3 — CID 107874273

IUPACN-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine
SMILESCN(c1ccc(CN)cc1)c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C17H23N3/c1-17(2,3)14-7-10-16(19-12-14)20(4)15-8-5-13(11-18)6-9-15/h5-10,12H,11,18H2,1-4H3
InChIKeyAMIWIEMCURKPMH-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.61
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine

N-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine (PubChem CID 107874273) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine
PubChem CID107874273
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine
SMILESCN(c1ccc(CN)cc1)c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C17H23N3/c1-17(2,3)14-7-10-16(19-12-14)20(4)15-8-5-13(11-18)6-9-15/h5-10,12H,11,18H2,1-4H3
InChIKeyAMIWIEMCURKPMH-UHFFFAOYSA-N
XLogP3.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine (CID 107874273) is N-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine is CN(c1ccc(CN)cc1)c1ccc(C(C)(C)C)cn1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine?
The InChIKey is AMIWIEMCURKPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2,3)14-7-10-16(19-12-14)20(4)15-8-5-13(11-18)6-9-15/h5-10,12H,11,18H2,1-4H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine?
N-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine is sourced from PubChem (CID 107874273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).