N-tert-butyl-4-(methoxymethyl)pyridin-2-amine

C11H18N2O — CID 58745597

IUPACN-tert-butyl-4-(methoxymethyl)pyridin-2-amine
SMILESCOCc1ccnc(NC(C)(C)C)c1
InChIInChI=1S/C11H18N2O/c1-11(2,3)13-10-7-9(8-14-4)5-6-12-10/h5-7H,8H2,1-4H3,(H,12,13)
InChIKeyALKKSYWYUQAFMD-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.44
Rot. Bonds3

About N-tert-butyl-4-(methoxymethyl)pyridin-2-amine

N-tert-butyl-4-(methoxymethyl)pyridin-2-amine (PubChem CID 58745597) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-tert-butyl-4-(methoxymethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(methoxymethyl)pyridin-2-amine
PubChem CID58745597
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-tert-butyl-4-(methoxymethyl)pyridin-2-amine
SMILESCOCc1ccnc(NC(C)(C)C)c1
InChIInChI=1S/C11H18N2O/c1-11(2,3)13-10-7-9(8-14-4)5-6-12-10/h5-7H,8H2,1-4H3,(H,12,13)
InChIKeyALKKSYWYUQAFMD-UHFFFAOYSA-N
XLogP2.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(methoxymethyl)pyridin-2-amine?
The IUPAC name of N-tert-butyl-4-(methoxymethyl)pyridin-2-amine (CID 58745597) is N-tert-butyl-4-(methoxymethyl)pyridin-2-amine.
What is the SMILES notation for N-tert-butyl-4-(methoxymethyl)pyridin-2-amine?
The canonical SMILES for N-tert-butyl-4-(methoxymethyl)pyridin-2-amine is COCc1ccnc(NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-4-(methoxymethyl)pyridin-2-amine?
The InChIKey is ALKKSYWYUQAFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)13-10-7-9(8-14-4)5-6-12-10/h5-7H,8H2,1-4H3,(H,12,13).
What are the key properties of N-tert-butyl-4-(methoxymethyl)pyridin-2-amine?
N-tert-butyl-4-(methoxymethyl)pyridin-2-amine has a molecular weight of 194.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(methoxymethyl)pyridin-2-amine is sourced from PubChem (CID 58745597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).