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

C11H17N3O — CID 62988943

IUPAC[6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
SMILESNCc1ccc(N2CCCOCC2)nc1
InChIInChI=1S/C11H17N3O/c12-8-10-2-3-11(13-9-10)14-4-1-6-15-7-5-14/h2-3,9H,1,4-8,12H2
InChIKeyYISUHPQJAOMOHD-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.77
Rot. Bonds2

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

[6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine (PubChem CID 62988943) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is [6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
PubChem CID62988943
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name[6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
SMILESNCc1ccc(N2CCCOCC2)nc1
InChIInChI=1S/C11H17N3O/c12-8-10-2-3-11(13-9-10)14-4-1-6-15-7-5-14/h2-3,9H,1,4-8,12H2
InChIKeyYISUHPQJAOMOHD-UHFFFAOYSA-N
XLogP0.77
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 44784898
2-(6-morpholin-4-yl-3-pyridinyl)ethanamine
CID 58882085
4-(5-chloro-2-pyridinyl)-1,4-oxazepane
CID 66234346
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 43581088
[6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62937885
[6-(2-ethylmorpholin-4-yl)-3-pyridinyl]methanamine
CID 43562218
6-(1,4-oxazepan-4-yl)pyridine-3-carboximidamide
CID 62973406
1-[5-(aminomethyl)-2-pyridinyl]azepane-4-carboxylic acid
CID 123851313
4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 107355690
[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]methanamine
CID 63007762
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147
2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride
CID 119839439

Frequently Asked Questions

What is the IUPAC name of [6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine (CID 62988943) is [6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine is NCc1ccc(N2CCCOCC2)nc1.
What is the InChIKey of [6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine?
The InChIKey is YISUHPQJAOMOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-8-10-2-3-11(13-9-10)14-4-1-6-15-7-5-14/h2-3,9H,1,4-8,12H2.
What are the key properties of [6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine?
[6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine has a molecular weight of 207.28 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 62988943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).