2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine

C9H20N2O — CID 130485470

IUPAC2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine
SMILESCCC1CN(CCN)CCCO1
InChIInChI=1S/C9H20N2O/c1-2-9-8-11(6-4-10)5-3-7-12-9/h9H,2-8,10H2,1H3
InChIKeyJPABEPKGYUDTDM-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.45
Rot. Bonds3

About 2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine

2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine (PubChem CID 130485470) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine
PubChem CID130485470
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine
SMILESCCC1CN(CCN)CCCO1
InChIInChI=1S/C9H20N2O/c1-2-9-8-11(6-4-10)5-3-7-12-9/h9H,2-8,10H2,1H3
InChIKeyJPABEPKGYUDTDM-UHFFFAOYSA-N
XLogP0.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride
CID 120849628
[2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine
CID 114218481
2-(2-ethyl-1,4-oxazepan-4-yl)acetic acid
CID 130485509
1-(2-ethyl-1,4-oxazepan-4-yl)-N,4,4-trimethylpentan-3-amine
CID 114218748
2-ethyl-4-(2-thiomorpholin-3-ylethyl)-1,4-oxazepane
CID 114218488
5-(2-ethylmorpholin-4-yl)-2-methylpentan-1-amine
CID 82017099
2,4-diethylmorpholine
CID 58988021
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820
4-dodecyl-2-ethylmorpholine
CID 4616518
3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
4-(2-ethylmorpholin-4-yl)-3-methylbutan-1-amine
CID 80544103
N-[2-(2-ethylmorpholin-4-yl)ethyl]propan-2-amine
CID 60843262

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine?
The IUPAC name of 2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine (CID 130485470) is 2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine.
What is the SMILES notation for 2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine?
The canonical SMILES for 2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine is CCC1CN(CCN)CCCO1.
What is the InChIKey of 2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine?
The InChIKey is JPABEPKGYUDTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-2-9-8-11(6-4-10)5-3-7-12-9/h9H,2-8,10H2,1H3.
What are the key properties of 2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine?
2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine has a molecular weight of 172.27 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine is sourced from PubChem (CID 130485470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).