N,N-dimethyl-2-[(6E)-8-(2-methylpropoxy)cycloocta-1,6-dien-1-yl]ethanamine

C16H29NO — CID 174194529

IUPACN,N-dimethyl-2-[(6E)-8-(2-methylpropoxy)cycloocta-1,6-dien-1-yl]ethanamine
SMILESCC(C)COC1/C=C\CCCC=C1CCN(C)C
InChIInChI=1S/C16H29NO/c1-14(2)13-18-16-10-8-6-5-7-9-15(16)11-12-17(3)4/h8-10,14,16H,5-7,11-13H2,1-4H3/b10-8-,15-9?
InChIKeyRUFKVMURJQKQJG-CHHWORCESA-N
MW251.41 g/mol
LogP3.65
Rot. Bonds6

About N,N-dimethyl-2-[(6E)-8-(2-methylpropoxy)cycloocta-1,6-dien-1-yl]ethanamine

N,N-dimethyl-2-[(6E)-8-(2-methylpropoxy)cycloocta-1,6-dien-1-yl]ethanamine (PubChem CID 174194529) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[(6E)-8-(2-methylpropoxy)cycloocta-1,6-dien-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(6E)-8-(2-methylpropoxy)cycloocta-1,6-dien-1-yl]ethanamine
PubChem CID174194529
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN,N-dimethyl-2-[(6E)-8-(2-methylpropoxy)cycloocta-1,6-dien-1-yl]ethanamine
SMILESCC(C)COC1/C=C\CCCC=C1CCN(C)C
InChIInChI=1S/C16H29NO/c1-14(2)13-18-16-10-8-6-5-7-9-15(16)11-12-17(3)4/h8-10,14,16H,5-7,11-13H2,1-4H3/b10-8-,15-9?
InChIKeyRUFKVMURJQKQJG-CHHWORCESA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 50
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,N-dimethyl-2-[(6E)-8-(2-methylpropoxy)cycloocta-1,6-dien-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(6E)-8-(2-methylpropoxy)cycloocta-1,6-dien-1-yl]ethanamine (CID 174194529) is N,N-dimethyl-2-[(6E)-8-(2-methylpropoxy)cycloocta-1,6-dien-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(6E)-8-(2-methylpropoxy)cycloocta-1,6-dien-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(6E)-8-(2-methylpropoxy)cycloocta-1,6-dien-1-yl]ethanamine is CC(C)COC1/C=C\CCCC=C1CCN(C)C.
What is the InChIKey of N,N-dimethyl-2-[(6E)-8-(2-methylpropoxy)cycloocta-1,6-dien-1-yl]ethanamine?
The InChIKey is RUFKVMURJQKQJG-CHHWORCESA-N. The full InChI is InChI=1S/C16H29NO/c1-14(2)13-18-16-10-8-6-5-7-9-15(16)11-12-17(3)4/h8-10,14,16H,5-7,11-13H2,1-4H3/b10-8-,15-9?.
What are the key properties of N,N-dimethyl-2-[(6E)-8-(2-methylpropoxy)cycloocta-1,6-dien-1-yl]ethanamine?
N,N-dimethyl-2-[(6E)-8-(2-methylpropoxy)cycloocta-1,6-dien-1-yl]ethanamine has a molecular weight of 251.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(6E)-8-(2-methylpropoxy)cycloocta-1,6-dien-1-yl]ethanamine is sourced from PubChem (CID 174194529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).