N'-[(E)-but-2-en-2-yl]-N-(6-methyl-2-pyridinyl)methanediamine

C11H17N3 — CID 143155800

IUPACN'-[(E)-but-2-en-2-yl]-N-(6-methyl-2-pyridinyl)methanediamine
SMILESC/C=C(\C)NCNc1cccc(C)n1
InChIInChI=1S/C11H17N3/c1-4-9(2)12-8-13-11-7-5-6-10(3)14-11/h4-7,12H,8H2,1-3H3,(H,13,14)/b9-4+
InChIKeyDJIIAABBQNPZPW-RUDMXATFSA-N
MW191.28 g/mol
LogP2.27
Rot. Bonds4

About N'-[(E)-but-2-en-2-yl]-N-(6-methyl-2-pyridinyl)methanediamine

N'-[(E)-but-2-en-2-yl]-N-(6-methyl-2-pyridinyl)methanediamine (PubChem CID 143155800) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N'-[(E)-but-2-en-2-yl]-N-(6-methyl-2-pyridinyl)methanediamine.

Molecular Properties

Compound NameN'-[(E)-but-2-en-2-yl]-N-(6-methyl-2-pyridinyl)methanediamine
PubChem CID143155800
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN'-[(E)-but-2-en-2-yl]-N-(6-methyl-2-pyridinyl)methanediamine
SMILESC/C=C(\C)NCNc1cccc(C)n1
InChIInChI=1S/C11H17N3/c1-4-9(2)12-8-13-11-7-5-6-10(3)14-11/h4-7,12H,8H2,1-3H3,(H,13,14)/b9-4+
InChIKeyDJIIAABBQNPZPW-RUDMXATFSA-N
XLogP2.27
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 60876058
N-iodo-6-methylpyridin-2-amine
CID 134375052
1-[2-[(6-methyl-2-pyridinyl)amino]ethylamino]propan-2-ol
CID 104594292
(E)-4-[(6-methyl-2-pyridinyl)amino]but-3-en-2-one
CID 131241368
(2S)-2-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]butan-1-ol
CID 99855806
3-[(6-methyl-2-pyridinyl)amino]propanenitrile
CID 130918867
N-[[4-(aminomethyl)phenyl]methyl]-6-methylpyridin-2-amine
CID 54936308
1-cyclohexyl-2-[(6-methyl-2-pyridinyl)amino]ethanol
CID 133482857
N,N-dimethyl-3-[(6-methyl-2-pyridinyl)amino]propanamide
CID 60926392
N',N'-dimethyl-N-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60876998
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
1-[(6-methyl-2-pyridinyl)amino]-3-phenylpropan-2-ol
CID 133482915

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-but-2-en-2-yl]-N-(6-methyl-2-pyridinyl)methanediamine?
The IUPAC name of N'-[(E)-but-2-en-2-yl]-N-(6-methyl-2-pyridinyl)methanediamine (CID 143155800) is N'-[(E)-but-2-en-2-yl]-N-(6-methyl-2-pyridinyl)methanediamine.
What is the SMILES notation for N'-[(E)-but-2-en-2-yl]-N-(6-methyl-2-pyridinyl)methanediamine?
The canonical SMILES for N'-[(E)-but-2-en-2-yl]-N-(6-methyl-2-pyridinyl)methanediamine is C/C=C(\C)NCNc1cccc(C)n1.
What is the InChIKey of N'-[(E)-but-2-en-2-yl]-N-(6-methyl-2-pyridinyl)methanediamine?
The InChIKey is DJIIAABBQNPZPW-RUDMXATFSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-9(2)12-8-13-11-7-5-6-10(3)14-11/h4-7,12H,8H2,1-3H3,(H,13,14)/b9-4+.
What are the key properties of N'-[(E)-but-2-en-2-yl]-N-(6-methyl-2-pyridinyl)methanediamine?
N'-[(E)-but-2-en-2-yl]-N-(6-methyl-2-pyridinyl)methanediamine has a molecular weight of 191.28 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-but-2-en-2-yl]-N-(6-methyl-2-pyridinyl)methanediamine is sourced from PubChem (CID 143155800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).