(2Z)-2-[(6-methoxy-2-pyridinyl)methylidene]butan-1-amine

C11H16N2O — CID 103348750

IUPAC(2Z)-2-[(6-methoxy-2-pyridinyl)methylidene]butan-1-amine
SMILESCC/C(=C/c1cccc(OC)n1)CN
InChIInChI=1S/C11H16N2O/c1-3-9(8-12)7-10-5-4-6-11(13-10)14-2/h4-7H,3,8,12H2,1-2H3/b9-7-
InChIKeyATLRPTWWHVTAGX-CLFYSBASSA-N
MW192.26 g/mol
LogP1.84
Rot. Bonds4

About (2Z)-2-[(6-methoxy-2-pyridinyl)methylidene]butan-1-amine

(2Z)-2-[(6-methoxy-2-pyridinyl)methylidene]butan-1-amine (PubChem CID 103348750) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (2Z)-2-[(6-methoxy-2-pyridinyl)methylidene]butan-1-amine.

Molecular Properties

Compound Name(2Z)-2-[(6-methoxy-2-pyridinyl)methylidene]butan-1-amine
PubChem CID103348750
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(2Z)-2-[(6-methoxy-2-pyridinyl)methylidene]butan-1-amine
SMILESCC/C(=C/c1cccc(OC)n1)CN
InChIInChI=1S/C11H16N2O/c1-3-9(8-12)7-10-5-4-6-11(13-10)14-2/h4-7H,3,8,12H2,1-2H3/b9-7-
InChIKeyATLRPTWWHVTAGX-CLFYSBASSA-N
XLogP1.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(6-methoxy-2-pyridinyl)methylidene]butan-1-amine?
The IUPAC name of (2Z)-2-[(6-methoxy-2-pyridinyl)methylidene]butan-1-amine (CID 103348750) is (2Z)-2-[(6-methoxy-2-pyridinyl)methylidene]butan-1-amine.
What is the SMILES notation for (2Z)-2-[(6-methoxy-2-pyridinyl)methylidene]butan-1-amine?
The canonical SMILES for (2Z)-2-[(6-methoxy-2-pyridinyl)methylidene]butan-1-amine is CC/C(=C/c1cccc(OC)n1)CN.
What is the InChIKey of (2Z)-2-[(6-methoxy-2-pyridinyl)methylidene]butan-1-amine?
The InChIKey is ATLRPTWWHVTAGX-CLFYSBASSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-9(8-12)7-10-5-4-6-11(13-10)14-2/h4-7H,3,8,12H2,1-2H3/b9-7-.
What are the key properties of (2Z)-2-[(6-methoxy-2-pyridinyl)methylidene]butan-1-amine?
(2Z)-2-[(6-methoxy-2-pyridinyl)methylidene]butan-1-amine has a molecular weight of 192.26 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(6-methoxy-2-pyridinyl)methylidene]butan-1-amine is sourced from PubChem (CID 103348750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).