1-(5-propan-2-yloxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine

C16H21N3O — CID 105176210

IUPAC1-(5-propan-2-yloxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
SMILESCC(C)Oc1cncc(C(N)CCc2cccnc2)c1
InChIInChI=1S/C16H21N3O/c1-12(2)20-15-8-14(10-19-11-15)16(17)6-5-13-4-3-7-18-9-13/h3-4,7-12,16H,5-6,17H2,1-2H3
InChIKeyDAIPKUNYMPZJOU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.90
Rot. Bonds6

About 1-(5-propan-2-yloxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine

1-(5-propan-2-yloxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine (PubChem CID 105176210) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(5-propan-2-yloxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-propan-2-yloxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
PubChem CID105176210
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(5-propan-2-yloxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
SMILESCC(C)Oc1cncc(C(N)CCc2cccnc2)c1
InChIInChI=1S/C16H21N3O/c1-12(2)20-15-8-14(10-19-11-15)16(17)6-5-13-4-3-7-18-9-13/h3-4,7-12,16H,5-6,17H2,1-2H3
InChIKeyDAIPKUNYMPZJOU-UHFFFAOYSA-N
XLogP2.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-propan-2-yloxyphenyl)-3-pyridin-3-ylpropyl]hydrazine
CID 105326477
1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171022
3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
CID 103148933
1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105115823
1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine
CID 105175469
6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127244
4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine
CID 21156680
1-(4-bromophenyl)-4-pyridin-3-ylbutan-1-amine
CID 14750815
1-pyridin-3-ylhexan-3-amine
CID 64506028
1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105086648
1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 55170164
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008

Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yloxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 1-(5-propan-2-yloxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine (CID 105176210) is 1-(5-propan-2-yloxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 1-(5-propan-2-yloxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 1-(5-propan-2-yloxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine is CC(C)Oc1cncc(C(N)CCc2cccnc2)c1.
What is the InChIKey of 1-(5-propan-2-yloxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine?
The InChIKey is DAIPKUNYMPZJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)20-15-8-14(10-19-11-15)16(17)6-5-13-4-3-7-18-9-13/h3-4,7-12,16H,5-6,17H2,1-2H3.
What are the key properties of 1-(5-propan-2-yloxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine?
1-(5-propan-2-yloxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yloxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 105176210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).