N-(1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ylmethyl)-N-ethyl-2-methoxyethanamine

C16H29NO — CID 176921915

IUPACN-(1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ylmethyl)-N-ethyl-2-methoxyethanamine
SMILESCCN(CCOC)CC1CCC2CC=CCC2C1
InChIInChI=1S/C16H29NO/c1-3-17(10-11-18-2)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-5,14-16H,3,6-13H2,1-2H3
InChIKeySEHMIPDVPIDHMS-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.34
Rot. Bonds6

About N-(1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ylmethyl)-N-ethyl-2-methoxyethanamine

N-(1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ylmethyl)-N-ethyl-2-methoxyethanamine (PubChem CID 176921915) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ylmethyl)-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ylmethyl)-N-ethyl-2-methoxyethanamine
PubChem CID176921915
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-(1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ylmethyl)-N-ethyl-2-methoxyethanamine
SMILESCCN(CCOC)CC1CCC2CC=CCC2C1
InChIInChI=1S/C16H29NO/c1-3-17(10-11-18-2)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-5,14-16H,3,6-13H2,1-2H3
InChIKeySEHMIPDVPIDHMS-UHFFFAOYSA-N
XLogP3.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(1,2,4a,5,6,7,8,8a-Octahydronaphthalen-1-yl)propyl]morpholine
CID 141103685

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ylmethyl)-N-ethyl-2-methoxyethanamine?
The IUPAC name of N-(1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ylmethyl)-N-ethyl-2-methoxyethanamine (CID 176921915) is N-(1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ylmethyl)-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for N-(1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ylmethyl)-N-ethyl-2-methoxyethanamine?
The canonical SMILES for N-(1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ylmethyl)-N-ethyl-2-methoxyethanamine is CCN(CCOC)CC1CCC2CC=CCC2C1.
What is the InChIKey of N-(1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ylmethyl)-N-ethyl-2-methoxyethanamine?
The InChIKey is SEHMIPDVPIDHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-17(10-11-18-2)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-5,14-16H,3,6-13H2,1-2H3.
What are the key properties of N-(1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ylmethyl)-N-ethyl-2-methoxyethanamine?
N-(1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ylmethyl)-N-ethyl-2-methoxyethanamine has a molecular weight of 251.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ylmethyl)-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 176921915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).