N-tert-butyl-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine

C16H34N2 — CID 79408559

IUPACN-tert-butyl-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine
SMILESCC(C)C1CCCN1C(C)C(C)CNC(C)(C)C
InChIInChI=1S/C16H34N2/c1-12(2)15-9-8-10-18(15)14(4)13(3)11-17-16(5,6)7/h12-15,17H,8-11H2,1-7H3
InChIKeyIGJIWRRFELFFBP-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds5

About N-tert-butyl-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine

N-tert-butyl-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine (PubChem CID 79408559) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine
PubChem CID79408559
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-tert-butyl-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine
SMILESCC(C)C1CCCN1C(C)C(C)CNC(C)(C)C
InChIInChI=1S/C16H34N2/c1-12(2)15-9-8-10-18(15)14(4)13(3)11-17-16(5,6)7/h12-15,17H,8-11H2,1-7H3
InChIKeyIGJIWRRFELFFBP-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine (CID 79408559) is N-tert-butyl-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine is CC(C)C1CCCN1C(C)C(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine?
The InChIKey is IGJIWRRFELFFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-12(2)15-9-8-10-18(15)14(4)13(3)11-17-16(5,6)7/h12-15,17H,8-11H2,1-7H3.
What are the key properties of N-tert-butyl-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine?
N-tert-butyl-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine is sourced from PubChem (CID 79408559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).