N-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine

C17H36N2 — CID 79184023

IUPACN-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CNC(C)(C)C)CN1CC(C)C(C)C1
InChIInChI=1S/C17H36N2/c1-8-9-17(7,12-18-16(4,5)6)13-19-10-14(2)15(3)11-19/h14-15,18H,8-13H2,1-7H3
InChIKeyAOSHJVCDCKOOIM-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.77
Rot. Bonds6

About N-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine

N-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine (PubChem CID 79184023) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine
PubChem CID79184023
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CNC(C)(C)C)CN1CC(C)C(C)C1
InChIInChI=1S/C17H36N2/c1-8-9-17(7,12-18-16(4,5)6)13-19-10-14(2)15(3)11-19/h14-15,18H,8-13H2,1-7H3
InChIKeyAOSHJVCDCKOOIM-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine?
The IUPAC name of N-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine (CID 79184023) is N-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine is CCCC(C)(CNC(C)(C)C)CN1CC(C)C(C)C1.
What is the InChIKey of N-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine?
The InChIKey is AOSHJVCDCKOOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-8-9-17(7,12-18-16(4,5)6)13-19-10-14(2)15(3)11-19/h14-15,18H,8-13H2,1-7H3.
What are the key properties of N-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine?
N-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine is sourced from PubChem (CID 79184023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).