3-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)imino]but-1-en-2-amine

C11H19N3 — CID 156516565

IUPAC3-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)imino]but-1-en-2-amine
SMILESC=C(N)/C(C)=N/C1=C(C)CN(C)CC1
InChIInChI=1S/C11H19N3/c1-8-7-14(4)6-5-11(8)13-10(3)9(2)12/h2,5-7,12H2,1,3-4H3/b13-10+
InChIKeyLHMQYVPOHMOISZ-JLHYYAGUSA-N
MW193.29 g/mol
LogP1.53
Rot. Bonds2

About 3-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)imino]but-1-en-2-amine

3-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)imino]but-1-en-2-amine (PubChem CID 156516565) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)imino]but-1-en-2-amine.

Molecular Properties

Compound Name3-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)imino]but-1-en-2-amine
PubChem CID156516565
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)imino]but-1-en-2-amine
SMILESC=C(N)/C(C)=N/C1=C(C)CN(C)CC1
InChIInChI=1S/C11H19N3/c1-8-7-14(4)6-5-11(8)13-10(3)9(2)12/h2,5-7,12H2,1,3-4H3/b13-10+
InChIKeyLHMQYVPOHMOISZ-JLHYYAGUSA-N
XLogP1.53
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)imino]but-1-en-2-amine?
The IUPAC name of 3-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)imino]but-1-en-2-amine (CID 156516565) is 3-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)imino]but-1-en-2-amine.
What is the SMILES notation for 3-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)imino]but-1-en-2-amine?
The canonical SMILES for 3-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)imino]but-1-en-2-amine is C=C(N)/C(C)=N/C1=C(C)CN(C)CC1.
What is the InChIKey of 3-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)imino]but-1-en-2-amine?
The InChIKey is LHMQYVPOHMOISZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H19N3/c1-8-7-14(4)6-5-11(8)13-10(3)9(2)12/h2,5-7,12H2,1,3-4H3/b13-10+.
What are the key properties of 3-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)imino]but-1-en-2-amine?
3-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)imino]but-1-en-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)imino]but-1-en-2-amine is sourced from PubChem (CID 156516565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).