N,3-diethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine

C13H29NO — CID 112590492

IUPACN,3-diethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine
SMILESCCNC(C)C(CC)CCOC(C)(C)C
InChIInChI=1S/C13H29NO/c1-7-12(11(3)14-8-2)9-10-15-13(4,5)6/h11-12,14H,7-10H2,1-6H3
InChIKeyABFMBSBERCZJEV-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds7

About N,3-diethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine

N,3-diethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine (PubChem CID 112590492) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N,3-diethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine.

Molecular Properties

Compound NameN,3-diethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine
PubChem CID112590492
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN,3-diethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine
SMILESCCNC(C)C(CC)CCOC(C)(C)C
InChIInChI=1S/C13H29NO/c1-7-12(11(3)14-8-2)9-10-15-13(4,5)6/h11-12,14H,7-10H2,1-6H3
InChIKeyABFMBSBERCZJEV-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine?
The IUPAC name of N,3-diethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine (CID 112590492) is N,3-diethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine.
What is the SMILES notation for N,3-diethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine?
The canonical SMILES for N,3-diethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine is CCNC(C)C(CC)CCOC(C)(C)C.
What is the InChIKey of N,3-diethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine?
The InChIKey is ABFMBSBERCZJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-7-12(11(3)14-8-2)9-10-15-13(4,5)6/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N,3-diethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine?
N,3-diethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine is sourced from PubChem (CID 112590492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).