N-propan-2-yl-2-(2-pyridin-2-ylethoxy)pentan-1-amine

C15H26N2O — CID 83045178

IUPACN-propan-2-yl-2-(2-pyridin-2-ylethoxy)pentan-1-amine
SMILESCCCC(CNC(C)C)OCCc1ccccn1
InChIInChI=1S/C15H26N2O/c1-4-7-15(12-17-13(2)3)18-11-9-14-8-5-6-10-16-14/h5-6,8,10,13,15,17H,4,7,9,11-12H2,1-3H3
InChIKeyVKWNVGDUIQRTDD-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.81
Rot. Bonds9

About N-propan-2-yl-2-(2-pyridin-2-ylethoxy)pentan-1-amine

N-propan-2-yl-2-(2-pyridin-2-ylethoxy)pentan-1-amine (PubChem CID 83045178) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-propan-2-yl-2-(2-pyridin-2-ylethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-(2-pyridin-2-ylethoxy)pentan-1-amine
PubChem CID83045178
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-propan-2-yl-2-(2-pyridin-2-ylethoxy)pentan-1-amine
SMILESCCCC(CNC(C)C)OCCc1ccccn1
InChIInChI=1S/C15H26N2O/c1-4-7-15(12-17-13(2)3)18-11-9-14-8-5-6-10-16-14/h5-6,8,10,13,15,17H,4,7,9,11-12H2,1-3H3
InChIKeyVKWNVGDUIQRTDD-UHFFFAOYSA-N
XLogP2.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-pyridin-2-ylethoxy)pentanenitrile
CID 43175139
N,4-dimethyl-1-pyridin-2-ylheptan-3-amine
CID 107894010
N-propan-2-yl-5-(2-pyridin-2-ylethoxy)pentan-1-amine
CID 62455568
2-(3-ethyl-4-methylpentyl)pyridine
CID 67454741
2-(3-methyloctyl)pyridine;hydrochloride
CID 172780204
N-ethyl-4-methyl-1-pyridin-2-ylpentan-3-amine
CID 105078244
2,2-dimethyl-N-propan-2-yl-3-(2-pyridin-2-ylethoxy)propan-1-amine
CID 79626684
N-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine
CID 105170568
2-hexoxy-N-propan-2-ylpentan-1-amine
CID 83044468
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
N-ethyl-5-pyridin-2-ylpent-1-en-3-amine
CID 105161265
(5-methyl-1-pyridin-2-yloctan-3-yl)hydrazine
CID 105298189

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(2-pyridin-2-ylethoxy)pentan-1-amine?
The IUPAC name of N-propan-2-yl-2-(2-pyridin-2-ylethoxy)pentan-1-amine (CID 83045178) is N-propan-2-yl-2-(2-pyridin-2-ylethoxy)pentan-1-amine.
What is the SMILES notation for N-propan-2-yl-2-(2-pyridin-2-ylethoxy)pentan-1-amine?
The canonical SMILES for N-propan-2-yl-2-(2-pyridin-2-ylethoxy)pentan-1-amine is CCCC(CNC(C)C)OCCc1ccccn1.
What is the InChIKey of N-propan-2-yl-2-(2-pyridin-2-ylethoxy)pentan-1-amine?
The InChIKey is VKWNVGDUIQRTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-7-15(12-17-13(2)3)18-11-9-14-8-5-6-10-16-14/h5-6,8,10,13,15,17H,4,7,9,11-12H2,1-3H3.
What are the key properties of N-propan-2-yl-2-(2-pyridin-2-ylethoxy)pentan-1-amine?
N-propan-2-yl-2-(2-pyridin-2-ylethoxy)pentan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(2-pyridin-2-ylethoxy)pentan-1-amine is sourced from PubChem (CID 83045178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).