N-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine

C13H22N2O — CID 94497598

IUPACN-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine
SMILESCCC(CC)NC[C@@H](C)Oc1cccnc1
InChIInChI=1S/C13H22N2O/c1-4-12(5-2)15-9-11(3)16-13-7-6-8-14-10-13/h6-8,10-12,15H,4-5,9H2,1-3H3/t11-/m1/s1
InChIKeySMGCSWWCPNUQQW-LLVKDONJSA-N
MW222.33 g/mol
LogP2.63
Rot. Bonds7

About N-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine

N-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine (PubChem CID 94497598) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine.

Molecular Properties

Compound NameN-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine
PubChem CID94497598
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine
SMILESCCC(CC)NC[C@@H](C)Oc1cccnc1
InChIInChI=1S/C13H22N2O/c1-4-12(5-2)15-9-11(3)16-13-7-6-8-14-10-13/h6-8,10-12,15H,4-5,9H2,1-3H3/t11-/m1/s1
InChIKeySMGCSWWCPNUQQW-LLVKDONJSA-N
XLogP2.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyridin-3-yloxypropyl)pentan-2-amine
CID 62583825
N-[2-(4-ethylphenoxy)propyl]pentan-3-amine
CID 55088068
5-ethyl-N-(2-pyridin-3-yloxypropyl)pyrimidin-2-amine
CID 72937788
2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide
CID 124753809
N-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine
CID 62583823
N-(2-phenoxypropyl)butan-2-amine
CID 54802133
N,N-dimethyl-1-pyridin-3-yloxypropan-1-amine
CID 173058068
N-ethyl-2-pyridin-3-yloxypropanamide
CID 112691638
5-tert-butyl-N-[(2S)-2-pyridin-3-yloxypropyl]-1,3,4-oxadiazol-2-amine
CID 97155547
(2S)-N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine
CID 95399042
N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine
CID 56861099
N-[2-(4-chloro-3-fluorophenoxy)propyl]pentan-3-amine
CID 82726858

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine?
The IUPAC name of N-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine (CID 94497598) is N-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine.
What is the SMILES notation for N-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine?
The canonical SMILES for N-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine is CCC(CC)NC[C@@H](C)Oc1cccnc1.
What is the InChIKey of N-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine?
The InChIKey is SMGCSWWCPNUQQW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-12(5-2)15-9-11(3)16-13-7-6-8-14-10-13/h6-8,10-12,15H,4-5,9H2,1-3H3/t11-/m1/s1.
What are the key properties of N-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine?
N-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine has a molecular weight of 222.33 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine is sourced from PubChem (CID 94497598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).