1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine

C16H27N3O — CID 79560021

IUPAC1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine
SMILESCOc1ccc(CNC(C)CC2CCCCCN2)cn1
InChIInChI=1S/C16H27N3O/c1-13(10-15-6-4-3-5-9-17-15)18-11-14-7-8-16(20-2)19-12-14/h7-8,12-13,15,17-18H,3-6,9-11H2,1-2H3
InChIKeyYPTRDALAPXTVJJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.49
Rot. Bonds6

About 1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine

1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine (PubChem CID 79560021) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine
PubChem CID79560021
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine
SMILESCOc1ccc(CNC(C)CC2CCCCCN2)cn1
InChIInChI=1S/C16H27N3O/c1-13(10-15-6-4-3-5-9-17-15)18-11-14-7-8-16(20-2)19-12-14/h7-8,12-13,15,17-18H,3-6,9-11H2,1-2H3
InChIKeyYPTRDALAPXTVJJ-UHFFFAOYSA-N
XLogP2.49
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79548722
N-[(6-methoxy-3-pyridinyl)methyl]-3-piperidin-2-ylpropanamide
CID 62209908
1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 79559972
N-[(4-methylsulfonylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79538390
N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79537589
1-(azepan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine
CID 79560554
1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
CID 79553439
[3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol
CID 107229716
3-[(6-methoxy-3-pyridinyl)methylamino]butanenitrile
CID 62991342
N-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540165
6-methoxy-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106636193
4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol
CID 79536773

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine?
The IUPAC name of 1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine (CID 79560021) is 1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for 1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine is COc1ccc(CNC(C)CC2CCCCCN2)cn1.
What is the InChIKey of 1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine?
The InChIKey is YPTRDALAPXTVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(10-15-6-4-3-5-9-17-15)18-11-14-7-8-16(20-2)19-12-14/h7-8,12-13,15,17-18H,3-6,9-11H2,1-2H3.
What are the key properties of 1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine?
1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 79560021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).