1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine

C12H18N2O — CID 62604735

IUPAC1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine
SMILESNC(Cc1cccnc1)CC1CCCO1
InChIInChI=1S/C12H18N2O/c13-11(8-12-4-2-6-15-12)7-10-3-1-5-14-9-10/h1,3,5,9,11-12H,2,4,6-8,13H2
InChIKeyGBNBTNQYHRJIDP-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.52
Rot. Bonds4

About 1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine

1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine (PubChem CID 62604735) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine
PubChem CID62604735
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine
SMILESNC(Cc1cccnc1)CC1CCCO1
InChIInChI=1S/C12H18N2O/c13-11(8-12-4-2-6-15-12)7-10-3-1-5-14-9-10/h1,3,5,9,11-12H,2,4,6-8,13H2
InChIKeyGBNBTNQYHRJIDP-UHFFFAOYSA-N
XLogP1.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol
CID 104736205
1-cyclopropyl-3-pyridin-3-ylpropan-2-amine
CID 64906812
1-pyridin-3-yl-3-(thian-4-yl)propan-2-amine
CID 105179945
1-(oxolan-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 62601063
1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine
CID 113391539
1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
1-cyclopentyl-2-pyridin-3-ylethanamine
CID 62553066
[6-(oxolan-2-yl)-1-pyridin-3-ylhexan-3-yl]hydrazine
CID 105314138
N-[[(2S)-oxolan-2-yl]methyl]-1-pyridin-3-ylmethanimine
CID 2311431
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine
CID 105034731
5-(oxolan-2-yl)-1-pyridin-4-ylpentan-2-amine
CID 65164603

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine (CID 62604735) is 1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine is NC(Cc1cccnc1)CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine?
The InChIKey is GBNBTNQYHRJIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-11(8-12-4-2-6-15-12)7-10-3-1-5-14-9-10/h1,3,5,9,11-12H,2,4,6-8,13H2.
What are the key properties of 1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine?
1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine has a molecular weight of 206.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 62604735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).