[6-methyl-4-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine

C12H19N3O — CID 81248036

IUPAC[6-methyl-4-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
SMILESCc1cc(N2CCCOCC2)c(CN)cn1
InChIInChI=1S/C12H19N3O/c1-10-7-12(11(8-13)9-14-10)15-3-2-5-16-6-4-15/h7,9H,2-6,8,13H2,1H3
InChIKeyOSPSTTCIPDLUDN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.08
Rot. Bonds2

About [6-methyl-4-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine

[6-methyl-4-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine (PubChem CID 81248036) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [6-methyl-4-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methyl-4-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
PubChem CID81248036
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[6-methyl-4-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
SMILESCc1cc(N2CCCOCC2)c(CN)cn1
InChIInChI=1S/C12H19N3O/c1-10-7-12(11(8-13)9-14-10)15-3-2-5-16-6-4-15/h7,9H,2-6,8,13H2,1H3
InChIKeyOSPSTTCIPDLUDN-UHFFFAOYSA-N
XLogP1.08
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(8-azaspiro[4.5]decan-8-yl)-6-methyl-3-pyridinyl]methanamine
CID 81247840
4-(2,5-dimethyl-4-pyridinyl)morpholine;ethane
CID 177212902
3-methyl-5-(1,4-oxazepan-4-yl)isoquinolin-8-amine
CID 102713352
[4-(3,4-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine
CID 81248079
(4-methyl-2-morpholin-4-ylphenyl)methanamine
CID 62308441
[4-(3,3-diethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine
CID 81247679
[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine
CID 114412721
[6-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81247429
N-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81249710
2,6-dimethyl-4-(1,4-oxazepan-4-yl)pyridine-3-carbothioamide
CID 81054283
(4-bromo-2-morpholin-4-ylphenyl)methanamine
CID 43364908
N-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81248493

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-methyl-4-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine (CID 81248036) is [6-methyl-4-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-methyl-4-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-methyl-4-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine is Cc1cc(N2CCCOCC2)c(CN)cn1.
What is the InChIKey of [6-methyl-4-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine?
The InChIKey is OSPSTTCIPDLUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-7-12(11(8-13)9-14-10)15-3-2-5-16-6-4-15/h7,9H,2-6,8,13H2,1H3.
What are the key properties of [6-methyl-4-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine?
[6-methyl-4-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81248036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).