(1E)-1-(1-butan-2-yl-3-methyl-2-pyridinylidene)-3-methyl-2-methylidenebutan-1-amine

C16H26N2 — CID 129236478

IUPAC(1E)-1-(1-butan-2-yl-3-methyl-2-pyridinylidene)-3-methyl-2-methylidenebutan-1-amine
SMILESC=C(/C(N)=C1/C(C)=CC=CN1C(C)CC)C(C)C
InChIInChI=1S/C16H26N2/c1-7-13(5)18-10-8-9-12(4)16(18)15(17)14(6)11(2)3/h8-11,13H,6-7,17H2,1-5H3/b16-15+
InChIKeyAOVDZJWZDPIOJD-FOCLMDBBSA-N
MW246.40 g/mol
LogP3.94
Rot. Bonds4

About (1E)-1-(1-butan-2-yl-3-methyl-2-pyridinylidene)-3-methyl-2-methylidenebutan-1-amine

(1E)-1-(1-butan-2-yl-3-methyl-2-pyridinylidene)-3-methyl-2-methylidenebutan-1-amine (PubChem CID 129236478) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (1E)-1-(1-butan-2-yl-3-methyl-2-pyridinylidene)-3-methyl-2-methylidenebutan-1-amine.

Molecular Properties

Compound Name(1E)-1-(1-butan-2-yl-3-methyl-2-pyridinylidene)-3-methyl-2-methylidenebutan-1-amine
PubChem CID129236478
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(1E)-1-(1-butan-2-yl-3-methyl-2-pyridinylidene)-3-methyl-2-methylidenebutan-1-amine
SMILESC=C(/C(N)=C1/C(C)=CC=CN1C(C)CC)C(C)C
InChIInChI=1S/C16H26N2/c1-7-13(5)18-10-8-9-12(4)16(18)15(17)14(6)11(2)3/h8-11,13H,6-7,17H2,1-5H3/b16-15+
InChIKeyAOVDZJWZDPIOJD-FOCLMDBBSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(1-butan-2-yl-3-methyl-2-pyridinylidene)-3-methyl-2-methylidenebutan-1-amine?
The IUPAC name of (1E)-1-(1-butan-2-yl-3-methyl-2-pyridinylidene)-3-methyl-2-methylidenebutan-1-amine (CID 129236478) is (1E)-1-(1-butan-2-yl-3-methyl-2-pyridinylidene)-3-methyl-2-methylidenebutan-1-amine.
What is the SMILES notation for (1E)-1-(1-butan-2-yl-3-methyl-2-pyridinylidene)-3-methyl-2-methylidenebutan-1-amine?
The canonical SMILES for (1E)-1-(1-butan-2-yl-3-methyl-2-pyridinylidene)-3-methyl-2-methylidenebutan-1-amine is C=C(/C(N)=C1/C(C)=CC=CN1C(C)CC)C(C)C.
What is the InChIKey of (1E)-1-(1-butan-2-yl-3-methyl-2-pyridinylidene)-3-methyl-2-methylidenebutan-1-amine?
The InChIKey is AOVDZJWZDPIOJD-FOCLMDBBSA-N. The full InChI is InChI=1S/C16H26N2/c1-7-13(5)18-10-8-9-12(4)16(18)15(17)14(6)11(2)3/h8-11,13H,6-7,17H2,1-5H3/b16-15+.
What are the key properties of (1E)-1-(1-butan-2-yl-3-methyl-2-pyridinylidene)-3-methyl-2-methylidenebutan-1-amine?
(1E)-1-(1-butan-2-yl-3-methyl-2-pyridinylidene)-3-methyl-2-methylidenebutan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(1-butan-2-yl-3-methyl-2-pyridinylidene)-3-methyl-2-methylidenebutan-1-amine is sourced from PubChem (CID 129236478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).