2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine

C18H36N2 — CID 114460914

IUPAC2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C(C)C)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C18H36N2/c1-14(2)12-19-13-17(15(3)4)20-10-8-16(9-11-20)18(5,6)7/h8,14-15,17,19H,9-13H2,1-7H3
InChIKeyNNRUMEXQSLVATH-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.93
Rot. Bonds6

About 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine

2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 114460914) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID114460914
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C(C)C)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C18H36N2/c1-14(2)12-19-13-17(15(3)4)20-10-8-16(9-11-20)18(5,6)7/h8,14-15,17,19H,9-13H2,1-7H3
InChIKeyNNRUMEXQSLVATH-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.93
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-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 114460914) is 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(C(C)C)N1CC=C(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is NNRUMEXQSLVATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-14(2)12-19-13-17(15(3)4)20-10-8-16(9-11-20)18(5,6)7/h8,14-15,17,19H,9-13H2,1-7H3.
What are the key properties of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 114460914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).