1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol

C12H19N3O — CID 107408996

IUPAC1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2cccc(N)n2)CC1
InChIInChI=1S/C12H19N3O/c1-12(16)6-3-8-15(9-7-12)11-5-2-4-10(13)14-11/h2,4-5,16H,3,6-9H2,1H3,(H2,13,14)
InChIKeyWFNIPNXRPFZQSX-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.41
Rot. Bonds1

About 1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol

1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol (PubChem CID 107408996) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol
PubChem CID107408996
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2cccc(N)n2)CC1
InChIInChI=1S/C12H19N3O/c1-12(16)6-3-8-15(9-7-12)11-5-2-4-10(13)14-11/h2,4-5,16H,3,6-9H2,1H3,(H2,13,14)
InChIKeyWFNIPNXRPFZQSX-UHFFFAOYSA-N
XLogP1.41
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol?
The IUPAC name of 1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol (CID 107408996) is 1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol is CC1(O)CCCN(c2cccc(N)n2)CC1.
What is the InChIKey of 1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol?
The InChIKey is WFNIPNXRPFZQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(16)6-3-8-15(9-7-12)11-5-2-4-10(13)14-11/h2,4-5,16H,3,6-9H2,1H3,(H2,13,14).
What are the key properties of 1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol?
1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol has a molecular weight of 221.30 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol is sourced from PubChem (CID 107408996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).