N-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine

C13H21N3O — CID 107174074

IUPACN-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine
SMILESCOc1ccc(N(C)C2CCCNCC2)nc1
InChIInChI=1S/C13H21N3O/c1-16(11-4-3-8-14-9-7-11)13-6-5-12(17-2)10-15-13/h5-6,10-11,14H,3-4,7-9H2,1-2H3
InChIKeyHWLOEFUAVOYQHT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.67
Rot. Bonds3

About N-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine

N-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine (PubChem CID 107174074) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine.

Molecular Properties

Compound NameN-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine
PubChem CID107174074
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine
SMILESCOc1ccc(N(C)C2CCCNCC2)nc1
InChIInChI=1S/C13H21N3O/c1-16(11-4-3-8-14-9-7-11)13-6-5-12(17-2)10-15-13/h5-6,10-11,14H,3-4,7-9H2,1-2H3
InChIKeyHWLOEFUAVOYQHT-UHFFFAOYSA-N
XLogP1.67
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine
CID 107174267
5-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106504475
N-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine
CID 107174242
N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine
CID 120845518
3-[6-[methyl(piperidin-4-yl)amino]-3-pyridinyl]prop-2-enoic acid;dihydrochloride
CID 68962297
N-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-2-amine
CID 106505048
6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
CID 115650122
N-methyl-N-piperidin-4-ylpyridin-2-amine;hydrochloride
CID 71641470
5-fluoro-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63301481
N-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 107174233
5-(bromomethyl)-N-cyclohexyl-N-methylpyridin-2-amine
CID 107079365
N'-cyclopropyl-N'-(5-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 83833825

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine?
The IUPAC name of N-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine (CID 107174074) is N-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine.
What is the SMILES notation for N-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine?
The canonical SMILES for N-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine is COc1ccc(N(C)C2CCCNCC2)nc1.
What is the InChIKey of N-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine?
The InChIKey is HWLOEFUAVOYQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16(11-4-3-8-14-9-7-11)13-6-5-12(17-2)10-15-13/h5-6,10-11,14H,3-4,7-9H2,1-2H3.
What are the key properties of N-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine?
N-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine has a molecular weight of 235.33 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine is sourced from PubChem (CID 107174074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).