N-tert-butyl-2-(1-methoxypropan-2-yloxy)pentan-1-amine

C13H29NO2 — CID 83044032

IUPACN-tert-butyl-2-(1-methoxypropan-2-yloxy)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)OC(C)COC
InChIInChI=1S/C13H29NO2/c1-7-8-12(9-14-13(3,4)5)16-11(2)10-15-6/h11-12,14H,7-10H2,1-6H3
InChIKeyZBOZORNTMFADKQ-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.59
Rot. Bonds8

About N-tert-butyl-2-(1-methoxypropan-2-yloxy)pentan-1-amine

N-tert-butyl-2-(1-methoxypropan-2-yloxy)pentan-1-amine (PubChem CID 83044032) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-tert-butyl-2-(1-methoxypropan-2-yloxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(1-methoxypropan-2-yloxy)pentan-1-amine
PubChem CID83044032
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-tert-butyl-2-(1-methoxypropan-2-yloxy)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)OC(C)COC
InChIInChI=1S/C13H29NO2/c1-7-8-12(9-14-13(3,4)5)16-11(2)10-15-6/h11-12,14H,7-10H2,1-6H3
InChIKeyZBOZORNTMFADKQ-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methoxypropan-2-yloxy)-N-(2-methylpropyl)pentan-1-amine
CID 83044031
N-[3-methoxy-2-(2-methylpentoxy)propyl]-2-methylpropan-2-amine
CID 103285718
N-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine
CID 104566629
N-tert-butyl-2-(1-ethoxypropan-2-yloxy)butan-1-amine
CID 103490581
N-(2-ethoxy-3-methoxypropyl)-2-methylpropan-2-amine
CID 103227770
N-tert-butyl-2-methylpentan-1-amine
CID 43200440
1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
CID 45265339
N-[2-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62457300
N-(2-methoxypropyl)-2-methylpropan-2-amine
CID 62446177
N-tert-butyl-2-phenoxypentan-1-amine
CID 83043967
N-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228941
N-tert-butyl-2-fluoro-4-methoxy-3-methylbutan-1-amine
CID 107446634

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1-methoxypropan-2-yloxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-(1-methoxypropan-2-yloxy)pentan-1-amine (CID 83044032) is N-tert-butyl-2-(1-methoxypropan-2-yloxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(1-methoxypropan-2-yloxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(1-methoxypropan-2-yloxy)pentan-1-amine is CCCC(CNC(C)(C)C)OC(C)COC.
What is the InChIKey of N-tert-butyl-2-(1-methoxypropan-2-yloxy)pentan-1-amine?
The InChIKey is ZBOZORNTMFADKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-7-8-12(9-14-13(3,4)5)16-11(2)10-15-6/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N-tert-butyl-2-(1-methoxypropan-2-yloxy)pentan-1-amine?
N-tert-butyl-2-(1-methoxypropan-2-yloxy)pentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.59, 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-(1-methoxypropan-2-yloxy)pentan-1-amine is sourced from PubChem (CID 83044032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).