N-[[2-(6-methoxy-2-pyridinyl)-1-methylazepan-3-yl]methyl]cyclopropanamine

C17H27N3O — CID 103348585

IUPACN-[[2-(6-methoxy-2-pyridinyl)-1-methylazepan-3-yl]methyl]cyclopropanamine
SMILESCOc1cccc(C2C(CNC3CC3)CCCCN2C)n1
InChIInChI=1S/C17H27N3O/c1-20-11-4-3-6-13(12-18-14-9-10-14)17(20)15-7-5-8-16(19-15)21-2/h5,7-8,13-14,17-18H,3-4,6,9-12H2,1-2H3
InChIKeyKKDUOPHZVKNLHG-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.62
Rot. Bonds5

About N-[[2-(6-methoxy-2-pyridinyl)-1-methylazepan-3-yl]methyl]cyclopropanamine

N-[[2-(6-methoxy-2-pyridinyl)-1-methylazepan-3-yl]methyl]cyclopropanamine (PubChem CID 103348585) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[2-(6-methoxy-2-pyridinyl)-1-methylazepan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(6-methoxy-2-pyridinyl)-1-methylazepan-3-yl]methyl]cyclopropanamine
PubChem CID103348585
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[2-(6-methoxy-2-pyridinyl)-1-methylazepan-3-yl]methyl]cyclopropanamine
SMILESCOc1cccc(C2C(CNC3CC3)CCCCN2C)n1
InChIInChI=1S/C17H27N3O/c1-20-11-4-3-6-13(12-18-14-9-10-14)17(20)15-7-5-8-16(19-15)21-2/h5,7-8,13-14,17-18H,3-4,6,9-12H2,1-2H3
InChIKeyKKDUOPHZVKNLHG-UHFFFAOYSA-N
XLogP2.62
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(6-methoxy-2-pyridinyl)-1-methylazepan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(6-methoxy-2-pyridinyl)-1-methylazepan-3-yl]methyl]cyclopropanamine (CID 103348585) is N-[[2-(6-methoxy-2-pyridinyl)-1-methylazepan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(6-methoxy-2-pyridinyl)-1-methylazepan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(6-methoxy-2-pyridinyl)-1-methylazepan-3-yl]methyl]cyclopropanamine is COc1cccc(C2C(CNC3CC3)CCCCN2C)n1.
What is the InChIKey of N-[[2-(6-methoxy-2-pyridinyl)-1-methylazepan-3-yl]methyl]cyclopropanamine?
The InChIKey is KKDUOPHZVKNLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20-11-4-3-6-13(12-18-14-9-10-14)17(20)15-7-5-8-16(19-15)21-2/h5,7-8,13-14,17-18H,3-4,6,9-12H2,1-2H3.
What are the key properties of N-[[2-(6-methoxy-2-pyridinyl)-1-methylazepan-3-yl]methyl]cyclopropanamine?
N-[[2-(6-methoxy-2-pyridinyl)-1-methylazepan-3-yl]methyl]cyclopropanamine has a molecular weight of 289.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6-methoxy-2-pyridinyl)-1-methylazepan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103348585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).