(5-ethoxyspiro[2.3]hexan-2-yl)methanamine

C9H17NO — CID 106824123

IUPAC(5-ethoxyspiro[2.3]hexan-2-yl)methanamine
SMILESCCOC1CC2(C1)CC2CN
InChIInChI=1S/C9H17NO/c1-2-11-8-4-9(5-8)3-7(9)6-10/h7-8H,2-6,10H2,1H3
InChIKeyZISDFHUCXSVAGL-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.15
Rot. Bonds3

About (5-ethoxyspiro[2.3]hexan-2-yl)methanamine

(5-ethoxyspiro[2.3]hexan-2-yl)methanamine (PubChem CID 106824123) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (5-ethoxyspiro[2.3]hexan-2-yl)methanamine.

Molecular Properties

Compound Name(5-ethoxyspiro[2.3]hexan-2-yl)methanamine
PubChem CID106824123
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(5-ethoxyspiro[2.3]hexan-2-yl)methanamine
SMILESCCOC1CC2(C1)CC2CN
InChIInChI=1S/C9H17NO/c1-2-11-8-4-9(5-8)3-7(9)6-10/h7-8H,2-6,10H2,1H3
InChIKeyZISDFHUCXSVAGL-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-5-ethoxyspiro[2.3]hexane
CID 106824984
(5-methoxyspiro[2.3]hexan-2-yl)methanamine
CID 106824122
N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine
CID 106824127
N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine
CID 106824129
1-(aminomethyl)-3-ethoxy-N-ethyl-N-methylcyclobutan-1-amine
CID 106821743
(7-methoxyspiro[2.5]octan-2-yl)methanamine
CID 106874327
1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol
CID 106824789
6-ethoxy-1-azaspiro[3.3]heptane
CID 106824536
ethane;6-ethoxy-2-azaspiro[3.3]heptane
CID 170737877
[(2R)-spiro[2.4]heptan-2-yl]methanamine
CID 94557824
1-(dimethylamino)-3-ethoxycyclobutane-1-carbonitrile
CID 106823949
1-bromo-3-ethoxycyclobutane-1-carbonitrile
CID 106824047

Frequently Asked Questions

What is the IUPAC name of (5-ethoxyspiro[2.3]hexan-2-yl)methanamine?
The IUPAC name of (5-ethoxyspiro[2.3]hexan-2-yl)methanamine (CID 106824123) is (5-ethoxyspiro[2.3]hexan-2-yl)methanamine.
What is the SMILES notation for (5-ethoxyspiro[2.3]hexan-2-yl)methanamine?
The canonical SMILES for (5-ethoxyspiro[2.3]hexan-2-yl)methanamine is CCOC1CC2(C1)CC2CN.
What is the InChIKey of (5-ethoxyspiro[2.3]hexan-2-yl)methanamine?
The InChIKey is ZISDFHUCXSVAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-11-8-4-9(5-8)3-7(9)6-10/h7-8H,2-6,10H2,1H3.
What are the key properties of (5-ethoxyspiro[2.3]hexan-2-yl)methanamine?
(5-ethoxyspiro[2.3]hexan-2-yl)methanamine has a molecular weight of 155.24 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxyspiro[2.3]hexan-2-yl)methanamine is sourced from PubChem (CID 106824123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).