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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Related Compounds

N-[[2-(6-methoxy-2-pyridinyl)cyclopropyl]methyl]cyclopropanamine
CID 103348488
N-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine
CID 104818671
N-[[1-methyl-2-(5-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine
CID 81311172
[1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-yl]methanamine
CID 103348592
1-ethyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine
CID 103348628
1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine
CID 103348631
N-[[2-(2-ethylpyrazol-3-yl)-1-methylazepan-3-yl]methyl]cyclopropanamine
CID 114557742
1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine
CID 114938579
N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine
CID 114488895
2-methoxy-6-[2-(1-methylpiperidin-2-yl)ethyl]pyridine
CID 101453040
N-[[2-(3,5-difluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine
CID 106534307
N-[[1-methyl-2-(2-propylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanamine
CID 114557688

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).