(4-pyridin-4-yloxan-4-yl)methanamine

C11H16N2O — CID 80524202

IUPAC(4-pyridin-4-yloxan-4-yl)methanamine
SMILESNCC1(c2ccncc2)CCOCC1
InChIInChI=1S/C11H16N2O/c12-9-11(3-7-14-8-4-11)10-1-5-13-6-2-10/h1-2,5-6H,3-4,7-9,12H2
InChIKeyMVDJMLBQMPCOPV-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.09
Rot. Bonds2

About (4-pyridin-4-yloxan-4-yl)methanamine

(4-pyridin-4-yloxan-4-yl)methanamine (PubChem CID 80524202) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (4-pyridin-4-yloxan-4-yl)methanamine.

Molecular Properties

Compound Name(4-pyridin-4-yloxan-4-yl)methanamine
PubChem CID80524202
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(4-pyridin-4-yloxan-4-yl)methanamine
SMILESNCC1(c2ccncc2)CCOCC1
InChIInChI=1S/C11H16N2O/c12-9-11(3-7-14-8-4-11)10-1-5-13-6-2-10/h1-2,5-6H,3-4,7-9,12H2
InChIKeyMVDJMLBQMPCOPV-UHFFFAOYSA-N
XLogP1.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 72923
CID 72923
CID 232544
CID 232544
CID 3152148
CID 3152148
CID 4988991
CID 4988991
CID 292590
CID 292590
CID 1139597
CID 1139597
CID 3152379
CID 3152379
CID 14347466
CID 14347466
CID 3153479
CID 3153479
CID 11492164
CID 11492164
CID 3736677
CID 3736677
CID 22100875
CID 22100875

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-4-yloxan-4-yl)methanamine?
The IUPAC name of (4-pyridin-4-yloxan-4-yl)methanamine (CID 80524202) is (4-pyridin-4-yloxan-4-yl)methanamine.
What is the SMILES notation for (4-pyridin-4-yloxan-4-yl)methanamine?
The canonical SMILES for (4-pyridin-4-yloxan-4-yl)methanamine is NCC1(c2ccncc2)CCOCC1.
What is the InChIKey of (4-pyridin-4-yloxan-4-yl)methanamine?
The InChIKey is MVDJMLBQMPCOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-9-11(3-7-14-8-4-11)10-1-5-13-6-2-10/h1-2,5-6H,3-4,7-9,12H2.
What are the key properties of (4-pyridin-4-yloxan-4-yl)methanamine?
(4-pyridin-4-yloxan-4-yl)methanamine has a molecular weight of 192.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-4-yloxan-4-yl)methanamine is sourced from PubChem (CID 80524202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).