N-(2-methoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C13H25NO — CID 14675486

IUPACN-(2-methoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCOCCNC1CCC2CCCCC2C1
InChIInChI=1S/C13H25NO/c1-15-9-8-14-13-7-6-11-4-2-3-5-12(11)10-13/h11-14H,2-10H2,1H3
InChIKeyIKCFLJSEIOJLIZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds4

About N-(2-methoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-(2-methoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 14675486) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID14675486
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(2-methoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCOCCNC1CCC2CCCCC2C1
InChIInChI=1S/C13H25NO/c1-15-9-8-14-13-7-6-11-4-2-3-5-12(11)10-13/h11-14H,2-10H2,1H3
InChIKeyIKCFLJSEIOJLIZ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(2-methoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 14675486) is N-(2-methoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is COCCNC1CCC2CCCCC2C1.
What is the InChIKey of N-(2-methoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is IKCFLJSEIOJLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-15-9-8-14-13-7-6-11-4-2-3-5-12(11)10-13/h11-14H,2-10H2,1H3.
What are the key properties of N-(2-methoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(2-methoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 14675486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).