4-methyl-2-N-[(4-methyloxan-4-yl)methyl]pyridine-2,5-diamine

C13H21N3O — CID 114124714

IUPAC4-methyl-2-N-[(4-methyloxan-4-yl)methyl]pyridine-2,5-diamine
SMILESCc1cc(NCC2(C)CCOCC2)ncc1N
InChIInChI=1S/C13H21N3O/c1-10-7-12(15-8-11(10)14)16-9-13(2)3-5-17-6-4-13/h7-8H,3-6,9,14H2,1-2H3,(H,15,16)
InChIKeyIPFWRTJQOXDOHY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.20
Rot. Bonds3

About 4-methyl-2-N-[(4-methyloxan-4-yl)methyl]pyridine-2,5-diamine

4-methyl-2-N-[(4-methyloxan-4-yl)methyl]pyridine-2,5-diamine (PubChem CID 114124714) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-methyl-2-N-[(4-methyloxan-4-yl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name4-methyl-2-N-[(4-methyloxan-4-yl)methyl]pyridine-2,5-diamine
PubChem CID114124714
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-methyl-2-N-[(4-methyloxan-4-yl)methyl]pyridine-2,5-diamine
SMILESCc1cc(NCC2(C)CCOCC2)ncc1N
InChIInChI=1S/C13H21N3O/c1-10-7-12(15-8-11(10)14)16-9-13(2)3-5-17-6-4-13/h7-8H,3-6,9,14H2,1-2H3,(H,15,16)
InChIKeyIPFWRTJQOXDOHY-UHFFFAOYSA-N
XLogP2.20
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-[(4-methyloxan-4-yl)methyl]pyridine-2,5-diamine?
The IUPAC name of 4-methyl-2-N-[(4-methyloxan-4-yl)methyl]pyridine-2,5-diamine (CID 114124714) is 4-methyl-2-N-[(4-methyloxan-4-yl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 4-methyl-2-N-[(4-methyloxan-4-yl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 4-methyl-2-N-[(4-methyloxan-4-yl)methyl]pyridine-2,5-diamine is Cc1cc(NCC2(C)CCOCC2)ncc1N.
What is the InChIKey of 4-methyl-2-N-[(4-methyloxan-4-yl)methyl]pyridine-2,5-diamine?
The InChIKey is IPFWRTJQOXDOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-7-12(15-8-11(10)14)16-9-13(2)3-5-17-6-4-13/h7-8H,3-6,9,14H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-2-N-[(4-methyloxan-4-yl)methyl]pyridine-2,5-diamine?
4-methyl-2-N-[(4-methyloxan-4-yl)methyl]pyridine-2,5-diamine has a molecular weight of 235.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-[(4-methyloxan-4-yl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 114124714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).