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

C10H22N2O2 — CID 63070059

IUPAC2-ethoxy-3-(1,4-oxazepan-4-yl)propan-1-amine
SMILESCCOC(CN)CN1CCCOCC1
InChIInChI=1S/C10H22N2O2/c1-2-14-10(8-11)9-12-4-3-6-13-7-5-12/h10H,2-9,11H2,1H3
InChIKeyMYPHMDZEUTVQSI-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.07
Rot. Bonds5

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

2-ethoxy-3-(1,4-oxazepan-4-yl)propan-1-amine (PubChem CID 63070059) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-ethoxy-3-(1,4-oxazepan-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(1,4-oxazepan-4-yl)propan-1-amine
PubChem CID63070059
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-ethoxy-3-(1,4-oxazepan-4-yl)propan-1-amine
SMILESCCOC(CN)CN1CCCOCC1
InChIInChI=1S/C10H22N2O2/c1-2-14-10(8-11)9-12-4-3-6-13-7-5-12/h10H,2-9,11H2,1H3
InChIKeyMYPHMDZEUTVQSI-UHFFFAOYSA-N
XLogP0.07
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid
CID 63073024
2-ethoxy-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 63070793
2-ethoxy-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propan-1-amine
CID 114279186
3-(3,3-dimethylmorpholin-4-yl)-2-ethoxypropan-1-amine
CID 63070053
2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine
CID 63072558
tert-butyl 4-(3-amino-2-ethoxypropyl)-1,4-diazepane-1-carboxylate
CID 114518350
2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
CID 63070656
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate
CID 63054023
ethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate
CID 63383208
methanamine;4-propyl-1,4-oxazepane
CID 169188972
2-[1-(3-amino-2-ethoxypropyl)piperidin-4-yl]oxyethanol
CID 82695724

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(1,4-oxazepan-4-yl)propan-1-amine?
The IUPAC name of 2-ethoxy-3-(1,4-oxazepan-4-yl)propan-1-amine (CID 63070059) is 2-ethoxy-3-(1,4-oxazepan-4-yl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(1,4-oxazepan-4-yl)propan-1-amine?
The canonical SMILES for 2-ethoxy-3-(1,4-oxazepan-4-yl)propan-1-amine is CCOC(CN)CN1CCCOCC1.
What is the InChIKey of 2-ethoxy-3-(1,4-oxazepan-4-yl)propan-1-amine?
The InChIKey is MYPHMDZEUTVQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-2-14-10(8-11)9-12-4-3-6-13-7-5-12/h10H,2-9,11H2,1H3.
What are the key properties of 2-ethoxy-3-(1,4-oxazepan-4-yl)propan-1-amine?
2-ethoxy-3-(1,4-oxazepan-4-yl)propan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(1,4-oxazepan-4-yl)propan-1-amine is sourced from PubChem (CID 63070059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).