2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-amine

C9H18N2 — CID 105430188

IUPAC2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-amine
SMILESCN1CC=C(C(C)(C)N)CC1
InChIInChI=1S/C9H18N2/c1-9(2,10)8-4-6-11(3)7-5-8/h4H,5-7,10H2,1-3H3
InChIKeyBNJLUDMAOKDBQW-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.99
Rot. Bonds1

About 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-amine

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-amine (PubChem CID 105430188) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-amine.

Molecular Properties

Compound Name2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-amine
PubChem CID105430188
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-amine
SMILESCN1CC=C(C(C)(C)N)CC1
InChIInChI=1S/C9H18N2/c1-9(2,10)8-4-6-11(3)7-5-8/h4H,5-7,10H2,1-3H3
InChIKeyBNJLUDMAOKDBQW-UHFFFAOYSA-N
XLogP0.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
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 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-amine?
The IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-amine (CID 105430188) is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-amine.
What is the SMILES notation for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-amine?
The canonical SMILES for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-amine is CN1CC=C(C(C)(C)N)CC1.
What is the InChIKey of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-amine?
The InChIKey is BNJLUDMAOKDBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(2,10)8-4-6-11(3)7-5-8/h4H,5-7,10H2,1-3H3.
What are the key properties of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-amine?
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-amine has a molecular weight of 154.26 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-amine is sourced from PubChem (CID 105430188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).