2-(cyclopropylmethoxy)-6-(4-methylazepan-1-yl)pyridin-3-amine

C16H25N3O — CID 63622042

IUPAC2-(cyclopropylmethoxy)-6-(4-methylazepan-1-yl)pyridin-3-amine
SMILESCC1CCCN(c2ccc(N)c(OCC3CC3)n2)CC1
InChIInChI=1S/C16H25N3O/c1-12-3-2-9-19(10-8-12)15-7-6-14(17)16(18-15)20-11-13-4-5-13/h6-7,12-13H,2-5,8-11,17H2,1H3
InChIKeyXNTICPUNJYAKPZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.08
Rot. Bonds4

About 2-(cyclopropylmethoxy)-6-(4-methylazepan-1-yl)pyridin-3-amine

2-(cyclopropylmethoxy)-6-(4-methylazepan-1-yl)pyridin-3-amine (PubChem CID 63622042) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-6-(4-methylazepan-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-6-(4-methylazepan-1-yl)pyridin-3-amine
PubChem CID63622042
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(cyclopropylmethoxy)-6-(4-methylazepan-1-yl)pyridin-3-amine
SMILESCC1CCCN(c2ccc(N)c(OCC3CC3)n2)CC1
InChIInChI=1S/C16H25N3O/c1-12-3-2-9-19(10-8-12)15-7-6-14(17)16(18-15)20-11-13-4-5-13/h6-7,12-13H,2-5,8-11,17H2,1H3
InChIKeyXNTICPUNJYAKPZ-UHFFFAOYSA-N
XLogP3.08
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-6-(4-methylazepan-1-yl)pyridin-3-amine?
The IUPAC name of 2-(cyclopropylmethoxy)-6-(4-methylazepan-1-yl)pyridin-3-amine (CID 63622042) is 2-(cyclopropylmethoxy)-6-(4-methylazepan-1-yl)pyridin-3-amine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-6-(4-methylazepan-1-yl)pyridin-3-amine?
The canonical SMILES for 2-(cyclopropylmethoxy)-6-(4-methylazepan-1-yl)pyridin-3-amine is CC1CCCN(c2ccc(N)c(OCC3CC3)n2)CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-6-(4-methylazepan-1-yl)pyridin-3-amine?
The InChIKey is XNTICPUNJYAKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-3-2-9-19(10-8-12)15-7-6-14(17)16(18-15)20-11-13-4-5-13/h6-7,12-13H,2-5,8-11,17H2,1H3.
What are the key properties of 2-(cyclopropylmethoxy)-6-(4-methylazepan-1-yl)pyridin-3-amine?
2-(cyclopropylmethoxy)-6-(4-methylazepan-1-yl)pyridin-3-amine has a molecular weight of 275.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-6-(4-methylazepan-1-yl)pyridin-3-amine is sourced from PubChem (CID 63622042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).