1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine

C13H26N2O — CID 62967083

IUPAC1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine
SMILESCC1CN(CCNC(C)C2CC2)CCCO1
InChIInChI=1S/C13H26N2O/c1-11-10-15(7-3-9-16-11)8-6-14-12(2)13-4-5-13/h11-14H,3-10H2,1-2H3
InChIKeyJQHGDBWSFVFPHH-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds5

About 1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine

1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine (PubChem CID 62967083) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine
PubChem CID62967083
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine
SMILESCC1CN(CCNC(C)C2CC2)CCCO1
InChIInChI=1S/C13H26N2O/c1-11-10-15(7-3-9-16-11)8-6-14-12(2)13-4-5-13/h11-14H,3-10H2,1-2H3
InChIKeyJQHGDBWSFVFPHH-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine
CID 62973749
N-[2-(azocan-1-yl)ethyl]-1-cyclopropylethanamine
CID 62574708
1-cyclopropyl-N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]ethanamine
CID 79183276
1-cyclopropyl-N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]ethanamine
CID 63621690
1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine
CID 65286870
N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine
CID 61241929
(1R)-1-cyclopentyl-N-(2-morpholin-4-ylethyl)ethanamine
CID 81394367
(1S)-1-cycloheptyl-N-(2-morpholin-4-ylethyl)ethanamine
CID 81393168
1-cyclopropyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]ethanamine
CID 103503465
2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine
CID 62966726
1-cyclopropyl-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]ethanamine
CID 63167458
1-(1-methylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 54967519

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine (CID 62967083) is 1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine is CC1CN(CCNC(C)C2CC2)CCCO1.
What is the InChIKey of 1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine?
The InChIKey is JQHGDBWSFVFPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-10-15(7-3-9-16-11)8-6-14-12(2)13-4-5-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine?
1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine is sourced from PubChem (CID 62967083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).