[1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-yl]methanamine

C16H25N3O — CID 103348592

IUPAC[1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-yl]methanamine
SMILESCOc1cccc(C2C(CN)CCCCN2C2CC2)n1
InChIInChI=1S/C16H25N3O/c1-20-15-7-4-6-14(18-15)16-12(11-17)5-2-3-10-19(16)13-8-9-13/h4,6-7,12-13,16H,2-3,5,8-11,17H2,1H3
InChIKeyTVSMSRVJMZTZKM-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.35
Rot. Bonds4

About [1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-yl]methanamine

[1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-yl]methanamine (PubChem CID 103348592) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-yl]methanamine.

Molecular Properties

Compound Name[1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-yl]methanamine
PubChem CID103348592
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-yl]methanamine
SMILESCOc1cccc(C2C(CN)CCCCN2C2CC2)n1
InChIInChI=1S/C16H25N3O/c1-20-15-7-4-6-14(18-15)16-12(11-17)5-2-3-10-19(16)13-8-9-13/h4,6-7,12-13,16H,2-3,5,8-11,17H2,1H3
InChIKeyTVSMSRVJMZTZKM-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
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-yl]methanamine?
The IUPAC name of [1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-yl]methanamine (CID 103348592) is [1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-yl]methanamine.
What is the SMILES notation for [1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-yl]methanamine?
The canonical SMILES for [1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-yl]methanamine is COc1cccc(C2C(CN)CCCCN2C2CC2)n1.
What is the InChIKey of [1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-yl]methanamine?
The InChIKey is TVSMSRVJMZTZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-20-15-7-4-6-14(18-15)16-12(11-17)5-2-3-10-19(16)13-8-9-13/h4,6-7,12-13,16H,2-3,5,8-11,17H2,1H3.
What are the key properties of [1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-yl]methanamine?
[1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-yl]methanamine has a molecular weight of 275.40 g/mol, XLogP of 2.35, 4 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-yl]methanamine is sourced from PubChem (CID 103348592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).