N-tert-butyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)pentan-1-amine

C16H34N2 — CID 83221318

IUPACN-tert-butyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)N1C(C)CCC1CC
InChIInChI=1S/C16H34N2/c1-7-9-15(12-17-16(4,5)6)18-13(3)10-11-14(18)8-2/h13-15,17H,7-12H2,1-6H3
InChIKeyINTAPRMQDNTLLZ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds6

About N-tert-butyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)pentan-1-amine

N-tert-butyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)pentan-1-amine (PubChem CID 83221318) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-tert-butyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)pentan-1-amine
PubChem CID83221318
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-tert-butyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)N1C(C)CCC1CC
InChIInChI=1S/C16H34N2/c1-7-9-15(12-17-16(4,5)6)18-13(3)10-11-14(18)8-2/h13-15,17H,7-12H2,1-6H3
InChIKeyINTAPRMQDNTLLZ-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.81
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-(2-ethyl-5-methylpyrrolidin-1-yl)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)pentan-1-amine (CID 83221318) is N-tert-butyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)pentan-1-amine is CCCC(CNC(C)(C)C)N1C(C)CCC1CC.
What is the InChIKey of N-tert-butyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)pentan-1-amine?
The InChIKey is INTAPRMQDNTLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-9-15(12-17-16(4,5)6)18-13(3)10-11-14(18)8-2/h13-15,17H,7-12H2,1-6H3.
What are the key properties of N-tert-butyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)pentan-1-amine?
N-tert-butyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)pentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 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-(2-ethyl-5-methylpyrrolidin-1-yl)pentan-1-amine is sourced from PubChem (CID 83221318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).