(1R)-3-amino-1-[6-(cycloheptylmethoxy)-2-pyridinyl]propan-1-ol

C16H26N2O2 — CID 86694636

IUPAC(1R)-3-amino-1-[6-(cycloheptylmethoxy)-2-pyridinyl]propan-1-ol
SMILESNCC[C@@H](O)c1cccc(OCC2CCCCCC2)n1
InChIInChI=1S/C16H26N2O2/c17-11-10-15(19)14-8-5-9-16(18-14)20-12-13-6-3-1-2-4-7-13/h5,8-9,13,15,19H,1-4,6-7,10-12,17H2/t15-/m1/s1
InChIKeyIUPGOQBZDNANNG-OAHLLOKOSA-N
MW278.40 g/mol
LogP2.81
Rot. Bonds6

About (1R)-3-amino-1-[6-(cycloheptylmethoxy)-2-pyridinyl]propan-1-ol

(1R)-3-amino-1-[6-(cycloheptylmethoxy)-2-pyridinyl]propan-1-ol (PubChem CID 86694636) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (1R)-3-amino-1-[6-(cycloheptylmethoxy)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-3-amino-1-[6-(cycloheptylmethoxy)-2-pyridinyl]propan-1-ol
PubChem CID86694636
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(1R)-3-amino-1-[6-(cycloheptylmethoxy)-2-pyridinyl]propan-1-ol
SMILESNCC[C@@H](O)c1cccc(OCC2CCCCCC2)n1
InChIInChI=1S/C16H26N2O2/c17-11-10-15(19)14-8-5-9-16(18-14)20-12-13-6-3-1-2-4-7-13/h5,8-9,13,15,19H,1-4,6-7,10-12,17H2/t15-/m1/s1
InChIKeyIUPGOQBZDNANNG-OAHLLOKOSA-N
XLogP2.81
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-amino-1-[6-(cycloheptylmethoxy)-2-pyridinyl]propan-1-ol?
The IUPAC name of (1R)-3-amino-1-[6-(cycloheptylmethoxy)-2-pyridinyl]propan-1-ol (CID 86694636) is (1R)-3-amino-1-[6-(cycloheptylmethoxy)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1R)-3-amino-1-[6-(cycloheptylmethoxy)-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1R)-3-amino-1-[6-(cycloheptylmethoxy)-2-pyridinyl]propan-1-ol is NCC[C@@H](O)c1cccc(OCC2CCCCCC2)n1.
What is the InChIKey of (1R)-3-amino-1-[6-(cycloheptylmethoxy)-2-pyridinyl]propan-1-ol?
The InChIKey is IUPGOQBZDNANNG-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N2O2/c17-11-10-15(19)14-8-5-9-16(18-14)20-12-13-6-3-1-2-4-7-13/h5,8-9,13,15,19H,1-4,6-7,10-12,17H2/t15-/m1/s1.
What are the key properties of (1R)-3-amino-1-[6-(cycloheptylmethoxy)-2-pyridinyl]propan-1-ol?
(1R)-3-amino-1-[6-(cycloheptylmethoxy)-2-pyridinyl]propan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-amino-1-[6-(cycloheptylmethoxy)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 86694636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).