5-butan-2-yl-N,3-dimethyl-1,2,3,6-tetrahydropyridin-6-amine

C11H22N2 — CID 123905526

IUPAC5-butan-2-yl-N,3-dimethyl-1,2,3,6-tetrahydropyridin-6-amine
SMILESCCC(C)C1=CC(C)CNC1NC
InChIInChI=1S/C11H22N2/c1-5-9(3)10-6-8(2)7-13-11(10)12-4/h6,8-9,11-13H,5,7H2,1-4H3
InChIKeyVKRGWHXPYVCYJC-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.74
Rot. Bonds3

About 5-butan-2-yl-N,3-dimethyl-1,2,3,6-tetrahydropyridin-6-amine

5-butan-2-yl-N,3-dimethyl-1,2,3,6-tetrahydropyridin-6-amine (PubChem CID 123905526) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 5-butan-2-yl-N,3-dimethyl-1,2,3,6-tetrahydropyridin-6-amine.

Molecular Properties

Compound Name5-butan-2-yl-N,3-dimethyl-1,2,3,6-tetrahydropyridin-6-amine
PubChem CID123905526
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name5-butan-2-yl-N,3-dimethyl-1,2,3,6-tetrahydropyridin-6-amine
SMILESCCC(C)C1=CC(C)CNC1NC
InChIInChI=1S/C11H22N2/c1-5-9(3)10-6-8(2)7-13-11(10)12-4/h6,8-9,11-13H,5,7H2,1-4H3
InChIKeyVKRGWHXPYVCYJC-UHFFFAOYSA-N
XLogP1.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Butan-2-yl-1,2,3,6-tetrahydropyridine
CID 55287891
4-Pentan-3-yl-1,2,3,6-tetrahydropyridine
CID 68269804
4-[(2R)-butan-2-yl]-1,2,3,6-tetrahydropyridine
CID 89108916
2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-3-yl]ethanamine
CID 89361478
3-methyl-2-pentyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine
CID 89603860
N-methyl-1-[4-(methylaminomethyl)cyclohex-3-en-1-yl]methanamine
CID 90219042
N-propyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pentan-1-amine
CID 117943554
N,3-dimethyl-5-methylidenepiperidin-2-amine
CID 123220720
4-(2-Methylbutyl)-1,2,3,6-tetrahydropyridine
CID 123463862
4-Pent-1-en-3-yl-1,2,3,6-tetrahydropyridine
CID 123480536
5-(1-Methylcyclopropyl)-1,2,3,6-tetrahydropyridin-2-amine
CID 123795242
1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine
CID 123832821

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-N,3-dimethyl-1,2,3,6-tetrahydropyridin-6-amine?
The IUPAC name of 5-butan-2-yl-N,3-dimethyl-1,2,3,6-tetrahydropyridin-6-amine (CID 123905526) is 5-butan-2-yl-N,3-dimethyl-1,2,3,6-tetrahydropyridin-6-amine.
What is the SMILES notation for 5-butan-2-yl-N,3-dimethyl-1,2,3,6-tetrahydropyridin-6-amine?
The canonical SMILES for 5-butan-2-yl-N,3-dimethyl-1,2,3,6-tetrahydropyridin-6-amine is CCC(C)C1=CC(C)CNC1NC.
What is the InChIKey of 5-butan-2-yl-N,3-dimethyl-1,2,3,6-tetrahydropyridin-6-amine?
The InChIKey is VKRGWHXPYVCYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-9(3)10-6-8(2)7-13-11(10)12-4/h6,8-9,11-13H,5,7H2,1-4H3.
What are the key properties of 5-butan-2-yl-N,3-dimethyl-1,2,3,6-tetrahydropyridin-6-amine?
5-butan-2-yl-N,3-dimethyl-1,2,3,6-tetrahydropyridin-6-amine has a molecular weight of 182.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-N,3-dimethyl-1,2,3,6-tetrahydropyridin-6-amine is sourced from PubChem (CID 123905526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).