N-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C19H29NO — CID 107006227

IUPACN-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC=CCCCCCOc1cccc2c1CCCC2NCC
InChIInChI=1S/C19H29NO/c1-3-5-6-7-8-15-21-19-14-10-11-16-17(19)12-9-13-18(16)20-4-2/h3,10-11,14,18,20H,1,4-9,12-13,15H2,2H3
InChIKeyNSAGTWALQJMXCT-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.80
Rot. Bonds9

About N-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine

N-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 107006227) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID107006227
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC=CCCCCCOc1cccc2c1CCCC2NCC
InChIInChI=1S/C19H29NO/c1-3-5-6-7-8-15-21-19-14-10-11-16-17(19)12-9-13-18(16)20-4-2/h3,10-11,14,18,20H,1,4-9,12-13,15H2,2H3
InChIKeyNSAGTWALQJMXCT-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 107006227) is N-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine is C=CCCCCCOc1cccc2c1CCCC2NCC.
What is the InChIKey of N-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is NSAGTWALQJMXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-5-6-7-8-15-21-19-14-10-11-16-17(19)12-9-13-18(16)20-4-2/h3,10-11,14,18,20H,1,4-9,12-13,15H2,2H3.
What are the key properties of N-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 107006227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).