N-(oxan-4-ylmethyl)-5-propan-2-ylpyridazin-3-amine

C13H21N3O — CID 168929686

IUPACN-(oxan-4-ylmethyl)-5-propan-2-ylpyridazin-3-amine
SMILESCC(C)c1cnnc(NCC2CCOCC2)c1
InChIInChI=1S/C13H21N3O/c1-10(2)12-7-13(16-15-9-12)14-8-11-3-5-17-6-4-11/h7,9-11H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyDCRUUUXRHNPYSN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.44
Rot. Bonds4

About N-(oxan-4-ylmethyl)-5-propan-2-ylpyridazin-3-amine

N-(oxan-4-ylmethyl)-5-propan-2-ylpyridazin-3-amine (PubChem CID 168929686) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-5-propan-2-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-5-propan-2-ylpyridazin-3-amine
PubChem CID168929686
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(oxan-4-ylmethyl)-5-propan-2-ylpyridazin-3-amine
SMILESCC(C)c1cnnc(NCC2CCOCC2)c1
InChIInChI=1S/C13H21N3O/c1-10(2)12-7-13(16-15-9-12)14-8-11-3-5-17-6-4-11/h7,9-11H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyDCRUUUXRHNPYSN-UHFFFAOYSA-N
XLogP2.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-5-propan-2-ylpyridazin-3-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-5-propan-2-ylpyridazin-3-amine (CID 168929686) is N-(oxan-4-ylmethyl)-5-propan-2-ylpyridazin-3-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-5-propan-2-ylpyridazin-3-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-5-propan-2-ylpyridazin-3-amine is CC(C)c1cnnc(NCC2CCOCC2)c1.
What is the InChIKey of N-(oxan-4-ylmethyl)-5-propan-2-ylpyridazin-3-amine?
The InChIKey is DCRUUUXRHNPYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)12-7-13(16-15-9-12)14-8-11-3-5-17-6-4-11/h7,9-11H,3-6,8H2,1-2H3,(H,14,16).
What are the key properties of N-(oxan-4-ylmethyl)-5-propan-2-ylpyridazin-3-amine?
N-(oxan-4-ylmethyl)-5-propan-2-ylpyridazin-3-amine has a molecular weight of 235.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-5-propan-2-ylpyridazin-3-amine is sourced from PubChem (CID 168929686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).