6-methoxy-2-(4-propan-2-ylazepan-1-yl)pyridin-3-amine

C15H25N3O — CID 115320844

IUPAC6-methoxy-2-(4-propan-2-ylazepan-1-yl)pyridin-3-amine
SMILESCOc1ccc(N)c(N2CCCC(C(C)C)CC2)n1
InChIInChI=1S/C15H25N3O/c1-11(2)12-5-4-9-18(10-8-12)15-13(16)6-7-14(17-15)19-3/h6-7,11-12H,4-5,8-10,16H2,1-3H3
InChIKeyKVVWBOAFWOFHND-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.93
Rot. Bonds3

About 6-methoxy-2-(4-propan-2-ylazepan-1-yl)pyridin-3-amine

6-methoxy-2-(4-propan-2-ylazepan-1-yl)pyridin-3-amine (PubChem CID 115320844) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-methoxy-2-(4-propan-2-ylazepan-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-2-(4-propan-2-ylazepan-1-yl)pyridin-3-amine
PubChem CID115320844
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name6-methoxy-2-(4-propan-2-ylazepan-1-yl)pyridin-3-amine
SMILESCOc1ccc(N)c(N2CCCC(C(C)C)CC2)n1
InChIInChI=1S/C15H25N3O/c1-11(2)12-5-4-9-18(10-8-12)15-13(16)6-7-14(17-15)19-3/h6-7,11-12H,4-5,8-10,16H2,1-3H3
InChIKeyKVVWBOAFWOFHND-UHFFFAOYSA-N
XLogP2.93
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-propan-2-ylazepan-1-yl)pyridin-3-amine?
The IUPAC name of 6-methoxy-2-(4-propan-2-ylazepan-1-yl)pyridin-3-amine (CID 115320844) is 6-methoxy-2-(4-propan-2-ylazepan-1-yl)pyridin-3-amine.
What is the SMILES notation for 6-methoxy-2-(4-propan-2-ylazepan-1-yl)pyridin-3-amine?
The canonical SMILES for 6-methoxy-2-(4-propan-2-ylazepan-1-yl)pyridin-3-amine is COc1ccc(N)c(N2CCCC(C(C)C)CC2)n1.
What is the InChIKey of 6-methoxy-2-(4-propan-2-ylazepan-1-yl)pyridin-3-amine?
The InChIKey is KVVWBOAFWOFHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)12-5-4-9-18(10-8-12)15-13(16)6-7-14(17-15)19-3/h6-7,11-12H,4-5,8-10,16H2,1-3H3.
What are the key properties of 6-methoxy-2-(4-propan-2-ylazepan-1-yl)pyridin-3-amine?
6-methoxy-2-(4-propan-2-ylazepan-1-yl)pyridin-3-amine has a molecular weight of 263.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-propan-2-ylazepan-1-yl)pyridin-3-amine is sourced from PubChem (CID 115320844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).