3-methoxy-2-(1,4-oxazepan-4-yl)propan-1-amine

C9H20N2O2 — CID 103226384

IUPAC3-methoxy-2-(1,4-oxazepan-4-yl)propan-1-amine
SMILESCOCC(CN)N1CCCOCC1
InChIInChI=1S/C9H20N2O2/c1-12-8-9(7-10)11-3-2-5-13-6-4-11/h9H,2-8,10H2,1H3
InChIKeyNEPLLWPBCSJPLR-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.32
Rot. Bonds4

About 3-methoxy-2-(1,4-oxazepan-4-yl)propan-1-amine

3-methoxy-2-(1,4-oxazepan-4-yl)propan-1-amine (PubChem CID 103226384) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-methoxy-2-(1,4-oxazepan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(1,4-oxazepan-4-yl)propan-1-amine
PubChem CID103226384
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-methoxy-2-(1,4-oxazepan-4-yl)propan-1-amine
SMILESCOCC(CN)N1CCCOCC1
InChIInChI=1S/C9H20N2O2/c1-12-8-9(7-10)11-3-2-5-13-6-4-11/h9H,2-8,10H2,1H3
InChIKeyNEPLLWPBCSJPLR-UHFFFAOYSA-N
XLogP-0.32
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-4-yl-3-propan-2-yloxypropan-1-amine
CID 119093890
3-amino-4-methoxy-2-(1,4-oxazepan-4-yl)butan-1-ol
CID 114357161
4-pentan-3-ylmorpholine
CID 641553
3-methoxy-2-(2-methylmorpholin-4-yl)propan-1-amine
CID 103225259
4,4-dimethyl-2-morpholin-4-ylpentan-1-amine
CID 62951910
3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine
CID 112500977
5-methoxy-4-piperidin-1-ylpentan-1-amine
CID 103391620
(2S)-2-morpholin-4-yl-3-phenoxypropan-1-amine
CID 28920169
1-(1-amino-3-methoxypropan-2-yl)-N,N-dimethylpiperidin-3-amine
CID 103226846
3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 103226820
N-(2-methylpropyl)-2-(1,4-oxazepan-4-yl)butan-1-amine
CID 62972860
4-(1,4-oxazepan-4-yl)pentan-2-amine
CID 64708259

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(1,4-oxazepan-4-yl)propan-1-amine?
The IUPAC name of 3-methoxy-2-(1,4-oxazepan-4-yl)propan-1-amine (CID 103226384) is 3-methoxy-2-(1,4-oxazepan-4-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-2-(1,4-oxazepan-4-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-2-(1,4-oxazepan-4-yl)propan-1-amine is COCC(CN)N1CCCOCC1.
What is the InChIKey of 3-methoxy-2-(1,4-oxazepan-4-yl)propan-1-amine?
The InChIKey is NEPLLWPBCSJPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-12-8-9(7-10)11-3-2-5-13-6-4-11/h9H,2-8,10H2,1H3.
What are the key properties of 3-methoxy-2-(1,4-oxazepan-4-yl)propan-1-amine?
3-methoxy-2-(1,4-oxazepan-4-yl)propan-1-amine has a molecular weight of 188.27 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(1,4-oxazepan-4-yl)propan-1-amine is sourced from PubChem (CID 103226384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).