N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine

C12H23NO — CID 106824129

IUPACN-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine
SMILESCCCNCC1CC12CC(OCC)C2
InChIInChI=1S/C12H23NO/c1-3-5-13-9-10-6-12(10)7-11(8-12)14-4-2/h10-11,13H,3-9H2,1-2H3
InChIKeyVUBFOUSYXZHENH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds6

About N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine

N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine (PubChem CID 106824129) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine
PubChem CID106824129
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine
SMILESCCCNCC1CC12CC(OCC)C2
InChIInChI=1S/C12H23NO/c1-3-5-13-9-10-6-12(10)7-11(8-12)14-4-2/h10-11,13H,3-9H2,1-2H3
InChIKeyVUBFOUSYXZHENH-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]ethanamine
CID 106824127
(5-ethoxyspiro[2.3]hexan-2-yl)methanamine
CID 106824123
2-(bromomethyl)-5-ethoxyspiro[2.3]hexane
CID 106824984
N-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine
CID 65087341
N'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine
CID 107001505
N-[(2-heptyl-2-methylcyclopropyl)methyl]propan-1-amine
CID 63514212
N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine
CID 107178371
N-[(5-propan-2-ylspiro[2.3]hexan-2-yl)methyl]ethanamine
CID 103564913
ethane;6-ethoxy-2-azaspiro[3.3]heptane
CID 170737877
N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine
CID 107178474
N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine
CID 62708007
N-(spiro[2.11]tetradecan-2-ylmethyl)ethanamine
CID 63513335

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine (CID 106824129) is N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine is CCCNCC1CC12CC(OCC)C2.
What is the InChIKey of N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine?
The InChIKey is VUBFOUSYXZHENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-5-13-9-10-6-12(10)7-11(8-12)14-4-2/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine?
N-[(5-ethoxyspiro[2.3]hexan-2-yl)methyl]propan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 6 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]propan-1-amine is sourced from PubChem (CID 106824129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).