1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine

C15H23N3O — CID 103348631

IUPAC1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine
SMILESCOc1cccc(C2C(N)CCCCN2C2CC2)n1
InChIInChI=1S/C15H23N3O/c1-19-14-7-4-6-13(17-14)15-12(16)5-2-3-10-18(15)11-8-9-11/h4,6-7,11-12,15H,2-3,5,8-10,16H2,1H3
InChIKeySNIDXLCLROFMMT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.11
Rot. Bonds3

About 1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine

1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine (PubChem CID 103348631) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine
PubChem CID103348631
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine
SMILESCOc1cccc(C2C(N)CCCCN2C2CC2)n1
InChIInChI=1S/C15H23N3O/c1-19-14-7-4-6-13(17-14)15-12(16)5-2-3-10-18(15)11-8-9-11/h4,6-7,11-12,15H,2-3,5,8-10,16H2,1H3
InChIKeySNIDXLCLROFMMT-UHFFFAOYSA-N
XLogP2.11
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine?
The IUPAC name of 1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine (CID 103348631) is 1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine.
What is the SMILES notation for 1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine?
The canonical SMILES for 1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine is COc1cccc(C2C(N)CCCCN2C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine?
The InChIKey is SNIDXLCLROFMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-19-14-7-4-6-13(17-14)15-12(16)5-2-3-10-18(15)11-8-9-11/h4,6-7,11-12,15H,2-3,5,8-10,16H2,1H3.
What are the key properties of 1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine?
1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine has a molecular weight of 261.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine is sourced from PubChem (CID 103348631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).