N-tert-butyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pentan-1-amine

C16H34N2O — CID 83045953

IUPACN-tert-butyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pentan-1-amine
SMILESCCCC(CNC(C)(C)C)OCCC1CCCN1C
InChIInChI=1S/C16H34N2O/c1-6-8-15(13-17-16(2,3)4)19-12-10-14-9-7-11-18(14)5/h14-15,17H,6-13H2,1-5H3
InChIKeyUNXLNHSMGCIRDD-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.04
Rot. Bonds8

About N-tert-butyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pentan-1-amine

N-tert-butyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pentan-1-amine (PubChem CID 83045953) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pentan-1-amine
PubChem CID83045953
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-tert-butyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pentan-1-amine
SMILESCCCC(CNC(C)(C)C)OCCC1CCCN1C
InChIInChI=1S/C16H34N2O/c1-6-8-15(13-17-16(2,3)4)19-12-10-14-9-7-11-18(14)5/h14-15,17H,6-13H2,1-5H3
InChIKeyUNXLNHSMGCIRDD-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclobutylethoxy)-N-methylpentan-1-amine
CID 106206035
N-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine
CID 104566629
2-(2-cyclopropylethoxy)-N-ethylpentan-1-amine
CID 106205949
N-[3-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]butyl]cyclopropanamine
CID 62458467
N-methyl-2-(2-pyrrolidin-1-ylethoxy)pentan-1-amine
CID 83045031
(2S)-1-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
CID 146334915
N-tert-butyl-2-(1-methoxypropan-2-yloxy)pentan-1-amine
CID 83044032
N-ethyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]ethanamine
CID 107912960
2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine
CID 65467309
1-methyl-2-tetradecylpyrrolidine
CID 24796983
N-[3-methoxy-2-(2-methylpentoxy)propyl]-2-methylpropan-2-amine
CID 103285718
2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-2-amine
CID 55069670

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pentan-1-amine?
The IUPAC name of N-tert-butyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pentan-1-amine (CID 83045953) is N-tert-butyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pentan-1-amine is CCCC(CNC(C)(C)C)OCCC1CCCN1C.
What is the InChIKey of N-tert-butyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pentan-1-amine?
The InChIKey is UNXLNHSMGCIRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-8-15(13-17-16(2,3)4)19-12-10-14-9-7-11-18(14)5/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-tert-butyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pentan-1-amine?
N-tert-butyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pentan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pentan-1-amine is sourced from PubChem (CID 83045953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).