N-ethyl-8-methoxy-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-amine

C14H25NO — CID 163962157

IUPACN-ethyl-8-methoxy-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-amine
SMILESCCNC1CC=C2CCC(C)C(OC)C2C1
InChIInChI=1S/C14H25NO/c1-4-15-12-8-7-11-6-5-10(2)14(16-3)13(11)9-12/h7,10,12-15H,4-6,8-9H2,1-3H3
InChIKeySILRBKJHTHXZQH-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.75
Rot. Bonds3

About N-ethyl-8-methoxy-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-amine

N-ethyl-8-methoxy-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-amine (PubChem CID 163962157) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-ethyl-8-methoxy-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-ethyl-8-methoxy-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-amine
PubChem CID163962157
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-ethyl-8-methoxy-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-amine
SMILESCCNC1CC=C2CCC(C)C(OC)C2C1
InChIInChI=1S/C14H25NO/c1-4-15-12-8-7-11-6-5-10(2)14(16-3)13(11)9-12/h7,10,12-15H,4-6,8-9H2,1-3H3
InChIKeySILRBKJHTHXZQH-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-methoxy-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-amine?
The IUPAC name of N-ethyl-8-methoxy-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-amine (CID 163962157) is N-ethyl-8-methoxy-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-amine.
What is the SMILES notation for N-ethyl-8-methoxy-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-amine?
The canonical SMILES for N-ethyl-8-methoxy-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-amine is CCNC1CC=C2CCC(C)C(OC)C2C1.
What is the InChIKey of N-ethyl-8-methoxy-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-amine?
The InChIKey is SILRBKJHTHXZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-15-12-8-7-11-6-5-10(2)14(16-3)13(11)9-12/h7,10,12-15H,4-6,8-9H2,1-3H3.
What are the key properties of N-ethyl-8-methoxy-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-amine?
N-ethyl-8-methoxy-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-methoxy-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-amine is sourced from PubChem (CID 163962157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).