N-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine

C17H28N4 — CID 115498516

IUPACN-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine
SMILESCN1C2CCC1CN(c1cccc(NC(C)(C)C)n1)CC2
InChIInChI=1S/C17H28N4/c1-17(2,3)19-15-6-5-7-16(18-15)21-11-10-13-8-9-14(12-21)20(13)4/h5-7,13-14H,8-12H2,1-4H3,(H,18,19)
InChIKeyJMJJPYUZRJNBNQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.96
Rot. Bonds2

About N-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine

N-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine (PubChem CID 115498516) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine
PubChem CID115498516
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine
SMILESCN1C2CCC1CN(c1cccc(NC(C)(C)C)n1)CC2
InChIInChI=1S/C17H28N4/c1-17(2,3)19-15-6-5-7-16(18-15)21-11-10-13-8-9-14(12-21)20(13)4/h5-7,13-14H,8-12H2,1-4H3,(H,18,19)
InChIKeyJMJJPYUZRJNBNQ-UHFFFAOYSA-N
XLogP2.96
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine?
The IUPAC name of N-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine (CID 115498516) is N-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine.
What is the SMILES notation for N-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine?
The canonical SMILES for N-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine is CN1C2CCC1CN(c1cccc(NC(C)(C)C)n1)CC2.
What is the InChIKey of N-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine?
The InChIKey is JMJJPYUZRJNBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-17(2,3)19-15-6-5-7-16(18-15)21-11-10-13-8-9-14(12-21)20(13)4/h5-7,13-14H,8-12H2,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine?
N-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine has a molecular weight of 288.44 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine is sourced from PubChem (CID 115498516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).