(Z)-6-(6-methyl-2,3-dihydropyridin-3-yl)hex-1-en-1-amine

C12H20N2 — CID 130256409

IUPAC(Z)-6-(6-methyl-2,3-dihydropyridin-3-yl)hex-1-en-1-amine
SMILESCC1=NCC(CCCC/C=C\N)C=C1
InChIInChI=1S/C12H20N2/c1-11-7-8-12(10-14-11)6-4-2-3-5-9-13/h5,7-9,12H,2-4,6,10,13H2,1H3/b9-5-
InChIKeyWBTRYUZCJGLPEX-UITAMQMPSA-N
MW192.31 g/mol
LogP2.67
Rot. Bonds5

About (Z)-6-(6-methyl-2,3-dihydropyridin-3-yl)hex-1-en-1-amine

(Z)-6-(6-methyl-2,3-dihydropyridin-3-yl)hex-1-en-1-amine (PubChem CID 130256409) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (Z)-6-(6-methyl-2,3-dihydropyridin-3-yl)hex-1-en-1-amine.

Molecular Properties

Compound Name(Z)-6-(6-methyl-2,3-dihydropyridin-3-yl)hex-1-en-1-amine
PubChem CID130256409
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(Z)-6-(6-methyl-2,3-dihydropyridin-3-yl)hex-1-en-1-amine
SMILESCC1=NCC(CCCC/C=C\N)C=C1
InChIInChI=1S/C12H20N2/c1-11-7-8-12(10-14-11)6-4-2-3-5-9-13/h5,7-9,12H,2-4,6,10,13H2,1H3/b9-5-
InChIKeyWBTRYUZCJGLPEX-UITAMQMPSA-N
XLogP2.67
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-(6-methyl-2,3-dihydropyridin-3-yl)hex-1-en-1-amine?
The IUPAC name of (Z)-6-(6-methyl-2,3-dihydropyridin-3-yl)hex-1-en-1-amine (CID 130256409) is (Z)-6-(6-methyl-2,3-dihydropyridin-3-yl)hex-1-en-1-amine.
What is the SMILES notation for (Z)-6-(6-methyl-2,3-dihydropyridin-3-yl)hex-1-en-1-amine?
The canonical SMILES for (Z)-6-(6-methyl-2,3-dihydropyridin-3-yl)hex-1-en-1-amine is CC1=NCC(CCCC/C=C\N)C=C1.
What is the InChIKey of (Z)-6-(6-methyl-2,3-dihydropyridin-3-yl)hex-1-en-1-amine?
The InChIKey is WBTRYUZCJGLPEX-UITAMQMPSA-N. The full InChI is InChI=1S/C12H20N2/c1-11-7-8-12(10-14-11)6-4-2-3-5-9-13/h5,7-9,12H,2-4,6,10,13H2,1H3/b9-5-.
What are the key properties of (Z)-6-(6-methyl-2,3-dihydropyridin-3-yl)hex-1-en-1-amine?
(Z)-6-(6-methyl-2,3-dihydropyridin-3-yl)hex-1-en-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(6-methyl-2,3-dihydropyridin-3-yl)hex-1-en-1-amine is sourced from PubChem (CID 130256409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).