2-N,2-N-diethyl-5-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-2,5-diamine

C17H28N4 — CID 43697425

IUPAC2-N,2-N-diethyl-5-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NC2CC3CCC(C2)N3C)cn1
InChIInChI=1S/C17H28N4/c1-4-21(5-2)17-9-6-13(12-18-17)19-14-10-15-7-8-16(11-14)20(15)3/h6,9,12,14-16,19H,4-5,7-8,10-11H2,1-3H3
InChIKeyLZFHJKNOTPVCHC-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.96
Rot. Bonds5

About 2-N,2-N-diethyl-5-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-2,5-diamine

2-N,2-N-diethyl-5-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-2,5-diamine (PubChem CID 43697425) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-N,2-N-diethyl-5-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-5-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-2,5-diamine
PubChem CID43697425
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-N,2-N-diethyl-5-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NC2CC3CCC(C2)N3C)cn1
InChIInChI=1S/C17H28N4/c1-4-21(5-2)17-9-6-13(12-18-17)19-14-10-15-7-8-16(11-14)20(15)3/h6,9,12,14-16,19H,4-5,7-8,10-11H2,1-3H3
InChIKeyLZFHJKNOTPVCHC-UHFFFAOYSA-N
XLogP2.96
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 2-N,2-N-diethyl-5-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-2,5-diamine?
The IUPAC name of 2-N,2-N-diethyl-5-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-2,5-diamine (CID 43697425) is 2-N,2-N-diethyl-5-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-5-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-2,5-diamine?
The canonical SMILES for 2-N,2-N-diethyl-5-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-2,5-diamine is CCN(CC)c1ccc(NC2CC3CCC(C2)N3C)cn1.
What is the InChIKey of 2-N,2-N-diethyl-5-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-2,5-diamine?
The InChIKey is LZFHJKNOTPVCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-4-21(5-2)17-9-6-13(12-18-17)19-14-10-15-7-8-16(11-14)20(15)3/h6,9,12,14-16,19H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 2-N,2-N-diethyl-5-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-2,5-diamine?
2-N,2-N-diethyl-5-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-2,5-diamine has a molecular weight of 288.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-5-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-2,5-diamine is sourced from PubChem (CID 43697425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).