(E)-5-methyl-1-pyridin-4-ylhex-1-en-3-amine;dihydrochloride

C12H20Cl2N2 — CID 18784939

IUPAC(E)-5-methyl-1-pyridin-4-ylhex-1-en-3-amine;dihydrochloride
SMILESCC(C)CC(N)/C=C/c1ccncc1.Cl.Cl
InChIInChI=1S/C12H18N2.2ClH/c1-10(2)9-12(13)4-3-11-5-7-14-8-6-11;;/h3-8,10,12H,9,13H2,1-2H3;2*1H/b4-3+;;
InChIKeyVLAJJGVHDYMKCL-CZEFNJPISA-N
MW263.21 g/mol
LogP3.31
Rot. Bonds4

About (E)-5-methyl-1-pyridin-4-ylhex-1-en-3-amine;dihydrochloride

(E)-5-methyl-1-pyridin-4-ylhex-1-en-3-amine;dihydrochloride (PubChem CID 18784939) has the molecular formula C12H20Cl2N2 and a molecular weight of 263.21 g/mol. Its IUPAC name is (E)-5-methyl-1-pyridin-4-ylhex-1-en-3-amine;dihydrochloride.

Molecular Properties

Compound Name(E)-5-methyl-1-pyridin-4-ylhex-1-en-3-amine;dihydrochloride
PubChem CID18784939
Molecular FormulaC12H20Cl2N2
Molecular Weight263.21 g/mol
Exact Mass262.10
IUPAC Name(E)-5-methyl-1-pyridin-4-ylhex-1-en-3-amine;dihydrochloride
SMILESCC(C)CC(N)/C=C/c1ccncc1.Cl.Cl
InChIInChI=1S/C12H18N2.2ClH/c1-10(2)9-12(13)4-3-11-5-7-14-8-6-11;;/h3-8,10,12H,9,13H2,1-2H3;2*1H/b4-3+;;
InChIKeyVLAJJGVHDYMKCL-CZEFNJPISA-N
XLogP3.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-5-methyl-1-pyridin-4-ylhex-1-en-3-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-5-methyl-1-pyridin-4-ylhex-1-en-3-amine;dihydrochloride?
The IUPAC name of (E)-5-methyl-1-pyridin-4-ylhex-1-en-3-amine;dihydrochloride (CID 18784939) is (E)-5-methyl-1-pyridin-4-ylhex-1-en-3-amine;dihydrochloride.
What is the SMILES notation for (E)-5-methyl-1-pyridin-4-ylhex-1-en-3-amine;dihydrochloride?
The canonical SMILES for (E)-5-methyl-1-pyridin-4-ylhex-1-en-3-amine;dihydrochloride is CC(C)CC(N)/C=C/c1ccncc1.Cl.Cl.
What is the InChIKey of (E)-5-methyl-1-pyridin-4-ylhex-1-en-3-amine;dihydrochloride?
The InChIKey is VLAJJGVHDYMKCL-CZEFNJPISA-N. The full InChI is InChI=1S/C12H18N2.2ClH/c1-10(2)9-12(13)4-3-11-5-7-14-8-6-11;;/h3-8,10,12H,9,13H2,1-2H3;2*1H/b4-3+;;.
What are the key properties of (E)-5-methyl-1-pyridin-4-ylhex-1-en-3-amine;dihydrochloride?
(E)-5-methyl-1-pyridin-4-ylhex-1-en-3-amine;dihydrochloride has a molecular weight of 263.21 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methyl-1-pyridin-4-ylhex-1-en-3-amine;dihydrochloride is sourced from PubChem (CID 18784939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).