2-[(4R)-azepan-4-yl]oxyethanamine;ethane

C10H24N2O — CID 144754813

IUPAC2-[(4R)-azepan-4-yl]oxyethanamine;ethane
SMILESCC.NCCO[C@@H]1CCCNCC1
InChIInChI=1S/C8H18N2O.C2H6/c9-4-7-11-8-2-1-5-10-6-3-8;1-2/h8,10H,1-7,9H2;1-2H3/t8-;/m1./s1
InChIKeyMRESJFIOBAIPLO-DDWIOCJRSA-N
MW188.31 g/mol
LogP1.13
Rot. Bonds3

About 2-[(4R)-azepan-4-yl]oxyethanamine;ethane

2-[(4R)-azepan-4-yl]oxyethanamine;ethane (PubChem CID 144754813) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-[(4R)-azepan-4-yl]oxyethanamine;ethane.

Molecular Properties

Compound Name2-[(4R)-azepan-4-yl]oxyethanamine;ethane
PubChem CID144754813
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name2-[(4R)-azepan-4-yl]oxyethanamine;ethane
SMILESCC.NCCO[C@@H]1CCCNCC1
InChIInChI=1S/C8H18N2O.C2H6/c9-4-7-11-8-2-1-5-10-6-3-8;1-2/h8,10H,1-7,9H2;1-2H3/t8-;/m1./s1
InChIKeyMRESJFIOBAIPLO-DDWIOCJRSA-N
XLogP1.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoroethoxy)azepane
CID 84651254
4-(4-methylpentoxy)azepane
CID 63904463
4-(3-methoxy-3-methylbutoxy)azepane
CID 106668192
4-[2-(3-methoxypropoxy)ethoxy]azepane
CID 103175847
4-(2-cyclopentyloxyethyl)piperidine
CID 43149930
4-pentoxypiperidine
CID 43167830
(4R)-4-cyclobutyloxyazepane
CID 124508837
2-piperidin-4-yloxyethyl acetate;hydrochloride
CID 172841585
N-(2-piperidin-4-yloxyethyl)cyclopropanamine
CID 63903398
(3S)-3-(2-fluoroethoxy)piperidine
CID 80695434
4-(2-aminoethoxy)cyclohexan-1-amine
CID 64981454
ethane;4-prop-2-enoxypiperidine
CID 171805898

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-azepan-4-yl]oxyethanamine;ethane?
The IUPAC name of 2-[(4R)-azepan-4-yl]oxyethanamine;ethane (CID 144754813) is 2-[(4R)-azepan-4-yl]oxyethanamine;ethane.
What is the SMILES notation for 2-[(4R)-azepan-4-yl]oxyethanamine;ethane?
The canonical SMILES for 2-[(4R)-azepan-4-yl]oxyethanamine;ethane is CC.NCCO[C@@H]1CCCNCC1.
What is the InChIKey of 2-[(4R)-azepan-4-yl]oxyethanamine;ethane?
The InChIKey is MRESJFIOBAIPLO-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H18N2O.C2H6/c9-4-7-11-8-2-1-5-10-6-3-8;1-2/h8,10H,1-7,9H2;1-2H3/t8-;/m1./s1.
What are the key properties of 2-[(4R)-azepan-4-yl]oxyethanamine;ethane?
2-[(4R)-azepan-4-yl]oxyethanamine;ethane has a molecular weight of 188.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-azepan-4-yl]oxyethanamine;ethane is sourced from PubChem (CID 144754813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).