N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine

C11H21NO — CID 106824127

IUPACN-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine
SMILESCCNCC1CC12CC(OCC)C2
InChIInChI=1S/C11H21NO/c1-3-12-8-9-5-11(9)6-10(7-11)13-4-2/h9-10,12H,3-8H2,1-2H3
InChIKeyHFUQYZGMFHASAE-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds5

About N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine

N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine (PubChem CID 106824127) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine
PubChem CID106824127
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine
SMILESCCNCC1CC12CC(OCC)C2
InChIInChI=1S/C11H21NO/c1-3-12-8-9-5-11(9)6-10(7-11)13-4-2/h9-10,12H,3-8H2,1-2H3
InChIKeyHFUQYZGMFHASAE-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine
CID 106824129
(5-ethoxyspiro[2.3]hexan-2-yl)methanamine
CID 106824123
2-(bromomethyl)-5-ethoxyspiro[2.3]hexane
CID 106824984
N-[(5-propan-2-ylspiro[2.3]hexan-2-yl)methyl]ethanamine
CID 103564913
N-(spiro[2.11]tetradecan-2-ylmethyl)ethanamine
CID 63513335
N-(spiro[2.6]nonan-2-ylmethyl)ethanamine
CID 62708350
N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine
CID 130138088
N-(spiro[1,3-dihydroindene-2,2'-cyclopropane]-1'-ylmethyl)ethanamine
CID 55135116
N-[(6-propylspiro[2.5]octan-2-yl)methyl]ethanamine
CID 62707804
ethane;6-ethoxy-2-azaspiro[3.3]heptane
CID 170737877
2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde
CID 106825166
1-(dimethylamino)-3-ethoxycyclobutane-1-carbonitrile
CID 106823949

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine (CID 106824127) is N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine is CCNCC1CC12CC(OCC)C2.
What is the InChIKey of N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine?
The InChIKey is HFUQYZGMFHASAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-12-8-9-5-11(9)6-10(7-11)13-4-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine?
N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine has a molecular weight of 183.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine is sourced from PubChem (CID 106824127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).