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

C14H27NO — CID 43778403

IUPACN-(2-ethoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCCOCCNC1CCC2CCCCC2C1
InChIInChI=1S/C14H27NO/c1-2-16-10-9-15-14-8-7-12-5-3-4-6-13(12)11-14/h12-15H,2-11H2,1H3
InChIKeyHRUWABVHUGUBQQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds5

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

N-(2-ethoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43778403) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43778403
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(2-ethoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCCOCCNC1CCC2CCCCC2C1
InChIInChI=1S/C14H27NO/c1-2-16-10-9-15-14-8-7-12-5-3-4-6-13(12)11-14/h12-15H,2-11H2,1H3
InChIKeyHRUWABVHUGUBQQ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
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-ethoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(2-ethoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43778403) is N-(2-ethoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(2-ethoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is CCOCCNC1CCC2CCCCC2C1.
What is the InChIKey of N-(2-ethoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is HRUWABVHUGUBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-16-10-9-15-14-8-7-12-5-3-4-6-13(12)11-14/h12-15H,2-11H2,1H3.
What are the key properties of N-(2-ethoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(2-ethoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43778403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).