N-[(3-chloro-6-pentan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine

C15H25ClN2O — CID 102985993

IUPACN-[(3-chloro-6-pentan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESCCCC(C)Oc1ccc(Cl)c(CNC(C)(C)C)n1
InChIInChI=1S/C15H25ClN2O/c1-6-7-11(2)19-14-9-8-12(16)13(18-14)10-17-15(3,4)5/h8-9,11,17H,6-7,10H2,1-5H3
InChIKeyGHYIVRSNKNQVAT-UHFFFAOYSA-N
MW284.83 g/mol
LogP4.19
Rot. Bonds6

About N-[(3-chloro-6-pentan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine

N-[(3-chloro-6-pentan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine (PubChem CID 102985993) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is N-[(3-chloro-6-pentan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-6-pentan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
PubChem CID102985993
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC NameN-[(3-chloro-6-pentan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESCCCC(C)Oc1ccc(Cl)c(CNC(C)(C)C)n1
InChIInChI=1S/C15H25ClN2O/c1-6-7-11(2)19-14-9-8-12(16)13(18-14)10-17-15(3,4)5/h8-9,11,17H,6-7,10H2,1-5H3
InChIKeyGHYIVRSNKNQVAT-UHFFFAOYSA-N
XLogP4.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-6-pentan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-chloro-6-pentan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine (CID 102985993) is N-[(3-chloro-6-pentan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-chloro-6-pentan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-chloro-6-pentan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine is CCCC(C)Oc1ccc(Cl)c(CNC(C)(C)C)n1.
What is the InChIKey of N-[(3-chloro-6-pentan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine?
The InChIKey is GHYIVRSNKNQVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-6-7-11(2)19-14-9-8-12(16)13(18-14)10-17-15(3,4)5/h8-9,11,17H,6-7,10H2,1-5H3.
What are the key properties of N-[(3-chloro-6-pentan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine?
N-[(3-chloro-6-pentan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine has a molecular weight of 284.83 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-6-pentan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 102985993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).