7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one

C15H24N2O2 — CID 116551477

IUPAC7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one
SMILESCC(C)Oc1cncc(C(=O)CCCCCCN)c1
InChIInChI=1S/C15H24N2O2/c1-12(2)19-14-9-13(10-17-11-14)15(18)7-5-3-4-6-8-16/h9-12H,3-8,16H2,1-2H3
InChIKeyBZUHLGDPUCXLPI-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.96
Rot. Bonds9

About 7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one

7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one (PubChem CID 116551477) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one.

Molecular Properties

Compound Name7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one
PubChem CID116551477
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one
SMILESCC(C)Oc1cncc(C(=O)CCCCCCN)c1
InChIInChI=1S/C15H24N2O2/c1-12(2)19-14-9-13(10-17-11-14)15(18)7-5-3-4-6-8-16/h9-12H,3-8,16H2,1-2H3
InChIKeyBZUHLGDPUCXLPI-UHFFFAOYSA-N
XLogP2.96
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 105124809
4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116594885
1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one
CID 105124806
4-amino-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 82341479
1-(5-ethoxy-3-pyridinyl)heptan-1-one
CID 115793819
2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116592678
2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
CID 115794720
1-(5-propan-2-yloxy-3-pyridinyl)prop-2-en-1-one
CID 103453607
1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one
CID 115794638
2-piperidin-4-yl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
CID 116559903
1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone
CID 116560870
3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one
CID 116565258

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one?
The IUPAC name of 7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one (CID 116551477) is 7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one.
What is the SMILES notation for 7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one?
The canonical SMILES for 7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one is CC(C)Oc1cncc(C(=O)CCCCCCN)c1.
What is the InChIKey of 7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one?
The InChIKey is BZUHLGDPUCXLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)19-14-9-13(10-17-11-14)15(18)7-5-3-4-6-8-16/h9-12H,3-8,16H2,1-2H3.
What are the key properties of 7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one?
7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one has a molecular weight of 264.37 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one is sourced from PubChem (CID 116551477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).