1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine

C13H22N2O — CID 102980637

IUPAC1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine
SMILESCCCC(C)OC(c1cccnc1)C(C)N
InChIInChI=1S/C13H22N2O/c1-4-6-10(2)16-13(11(3)14)12-7-5-8-15-9-12/h5,7-11,13H,4,6,14H2,1-3H3
InChIKeyHNFAVVRCCOZVRW-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.68
Rot. Bonds6

About 1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine

1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine (PubChem CID 102980637) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine
PubChem CID102980637
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine
SMILESCCCC(C)OC(c1cccnc1)C(C)N
InChIInChI=1S/C13H22N2O/c1-4-6-10(2)16-13(11(3)14)12-7-5-8-15-9-12/h5,7-11,13H,4,6,14H2,1-3H3
InChIKeyHNFAVVRCCOZVRW-UHFFFAOYSA-N
XLogP2.68
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-pyridin-3-ylpentan-1-amine
CID 115799302
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
2-ethoxy-1-pyridin-3-ylpentan-1-amine
CID 116717421
1-(3,3-dimethylbutoxy)-1-pyridin-3-ylpropan-2-amine
CID 66233116
4-methoxy-1-pyridin-3-ylpentan-1-amine
CID 105098535
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine
CID 103176909
2-methoxy-1-pyridin-3-ylbutan-1-amine
CID 116715099
1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine
CID 107869311

Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine (CID 102980637) is 1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine is CCCC(C)OC(c1cccnc1)C(C)N.
What is the InChIKey of 1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine?
The InChIKey is HNFAVVRCCOZVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-6-10(2)16-13(11(3)14)12-7-5-8-15-9-12/h5,7-11,13H,4,6,14H2,1-3H3.
What are the key properties of 1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine?
1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 102980637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).