N-[[5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine

C16H26ClN3 — CID 63218000

IUPACN-[[5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(N2CCCC2(C)C)c(Cl)c1
InChIInChI=1S/C16H26ClN3/c1-15(2,3)19-11-12-9-13(17)14(18-10-12)20-8-6-7-16(20,4)5/h9-10,19H,6-8,11H2,1-5H3
InChIKeyKHBVJAWAZSBWPJ-UHFFFAOYSA-N
MW295.86 g/mol
LogP4.00
Rot. Bonds3

About N-[[5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 63218000) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is N-[[5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID63218000
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC NameN-[[5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(N2CCCC2(C)C)c(Cl)c1
InChIInChI=1S/C16H26ClN3/c1-15(2,3)19-11-12-9-13(17)14(18-10-12)20-8-6-7-16(20,4)5/h9-10,19H,6-8,11H2,1-5H3
InChIKeyKHBVJAWAZSBWPJ-UHFFFAOYSA-N
XLogP4.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 63218000) is N-[[5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(N2CCCC2(C)C)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is KHBVJAWAZSBWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-15(2,3)19-11-12-9-13(17)14(18-10-12)20-8-6-7-16(20,4)5/h9-10,19H,6-8,11H2,1-5H3.
What are the key properties of N-[[5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 295.86 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63218000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).