3,6-dimethyl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridin-4-amine

C10H18N2 — CID 89038997

IUPAC3,6-dimethyl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridin-4-amine
SMILESC/C=C\C1NC(C)C=C(N)C1C
InChIInChI=1S/C10H18N2/c1-4-5-10-8(3)9(11)6-7(2)12-10/h4-8,10,12H,11H2,1-3H3/b5-4-
InChIKeyZHFSSBTWQFIEFR-PLNGDYQASA-N
MW166.27 g/mol
LogP1.40
Rot. Bonds1

About 3,6-dimethyl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridin-4-amine

3,6-dimethyl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridin-4-amine (PubChem CID 89038997) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3,6-dimethyl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridin-4-amine.

Molecular Properties

Compound Name3,6-dimethyl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridin-4-amine
PubChem CID89038997
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3,6-dimethyl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridin-4-amine
SMILESC/C=C\C1NC(C)C=C(N)C1C
InChIInChI=1S/C10H18N2/c1-4-5-10-8(3)9(11)6-7(2)12-10/h4-8,10,12H,11H2,1-3H3/b5-4-
InChIKeyZHFSSBTWQFIEFR-PLNGDYQASA-N
XLogP1.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridin-4-amine?
The IUPAC name of 3,6-dimethyl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridin-4-amine (CID 89038997) is 3,6-dimethyl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridin-4-amine.
What is the SMILES notation for 3,6-dimethyl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridin-4-amine?
The canonical SMILES for 3,6-dimethyl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridin-4-amine is C/C=C\C1NC(C)C=C(N)C1C.
What is the InChIKey of 3,6-dimethyl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridin-4-amine?
The InChIKey is ZHFSSBTWQFIEFR-PLNGDYQASA-N. The full InChI is InChI=1S/C10H18N2/c1-4-5-10-8(3)9(11)6-7(2)12-10/h4-8,10,12H,11H2,1-3H3/b5-4-.
What are the key properties of 3,6-dimethyl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridin-4-amine?
3,6-dimethyl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridin-4-amine has a molecular weight of 166.27 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridin-4-amine is sourced from PubChem (CID 89038997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).