N-ethyl-1-(oxan-2-yl)-4-pyridin-4-ylpentan-3-amine

C17H28N2O — CID 66447563

IUPACN-ethyl-1-(oxan-2-yl)-4-pyridin-4-ylpentan-3-amine
SMILESCCNC(CCC1CCCCO1)C(C)c1ccncc1
InChIInChI=1S/C17H28N2O/c1-3-19-17(8-7-16-6-4-5-13-20-16)14(2)15-9-11-18-12-10-15/h9-12,14,16-17,19H,3-8,13H2,1-2H3
InChIKeySFJLUIWXJGVGRJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.51
Rot. Bonds7

About N-ethyl-1-(oxan-2-yl)-4-pyridin-4-ylpentan-3-amine

N-ethyl-1-(oxan-2-yl)-4-pyridin-4-ylpentan-3-amine (PubChem CID 66447563) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-1-(oxan-2-yl)-4-pyridin-4-ylpentan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxan-2-yl)-4-pyridin-4-ylpentan-3-amine
PubChem CID66447563
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-1-(oxan-2-yl)-4-pyridin-4-ylpentan-3-amine
SMILESCCNC(CCC1CCCCO1)C(C)c1ccncc1
InChIInChI=1S/C17H28N2O/c1-3-19-17(8-7-16-6-4-5-13-20-16)14(2)15-9-11-18-12-10-15/h9-12,14,16-17,19H,3-8,13H2,1-2H3
InChIKeySFJLUIWXJGVGRJ-UHFFFAOYSA-N
XLogP3.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-propyl-4-pyridin-4-ylpentan-3-amine
CID 66447178
N-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine
CID 105038119
N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine
CID 65167446
1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine
CID 115984984
1-cyclohexyl-N-propyl-4-pyridin-4-ylpentan-3-amine
CID 66447175
N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63950955
N-ethyl-1-(oxolan-2-yl)-5-pyridin-2-ylpentan-3-amine
CID 105156934
N-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine
CID 103312044
N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine
CID 115827795
N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164626
N-methyl-1-(oxan-2-yl)-2-pyridin-4-ylpropan-1-amine
CID 66447748
N-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 104999479

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxan-2-yl)-4-pyridin-4-ylpentan-3-amine?
The IUPAC name of N-ethyl-1-(oxan-2-yl)-4-pyridin-4-ylpentan-3-amine (CID 66447563) is N-ethyl-1-(oxan-2-yl)-4-pyridin-4-ylpentan-3-amine.
What is the SMILES notation for N-ethyl-1-(oxan-2-yl)-4-pyridin-4-ylpentan-3-amine?
The canonical SMILES for N-ethyl-1-(oxan-2-yl)-4-pyridin-4-ylpentan-3-amine is CCNC(CCC1CCCCO1)C(C)c1ccncc1.
What is the InChIKey of N-ethyl-1-(oxan-2-yl)-4-pyridin-4-ylpentan-3-amine?
The InChIKey is SFJLUIWXJGVGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-19-17(8-7-16-6-4-5-13-20-16)14(2)15-9-11-18-12-10-15/h9-12,14,16-17,19H,3-8,13H2,1-2H3.
What are the key properties of N-ethyl-1-(oxan-2-yl)-4-pyridin-4-ylpentan-3-amine?
N-ethyl-1-(oxan-2-yl)-4-pyridin-4-ylpentan-3-amine has a molecular weight of 276.42 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxan-2-yl)-4-pyridin-4-ylpentan-3-amine is sourced from PubChem (CID 66447563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).