N-(2-methoxyethyl)-6-methyl-N-[(E)-2-methylpent-2-enyl]cyclohepta-1,3,5-trien-1-amine

C17H27NO — CID 142844445

IUPACN-(2-methoxyethyl)-6-methyl-N-[(E)-2-methylpent-2-enyl]cyclohepta-1,3,5-trien-1-amine
SMILESCC/C=C(\C)CN(CCOC)C1=CC=CC=C(C)C1
InChIInChI=1S/C17H27NO/c1-5-8-16(3)14-18(11-12-19-4)17-10-7-6-9-15(2)13-17/h6-10H,5,11-14H2,1-4H3/b16-8+
InChIKeyWEWGPUJCHZFUIS-LZYBPNLTSA-N
MW261.41 g/mol
LogP4.08
Rot. Bonds7

About N-(2-methoxyethyl)-6-methyl-N-[(E)-2-methylpent-2-enyl]cyclohepta-1,3,5-trien-1-amine

N-(2-methoxyethyl)-6-methyl-N-[(E)-2-methylpent-2-enyl]cyclohepta-1,3,5-trien-1-amine (PubChem CID 142844445) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-methyl-N-[(E)-2-methylpent-2-enyl]cyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-N-[(E)-2-methylpent-2-enyl]cyclohepta-1,3,5-trien-1-amine
PubChem CID142844445
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(2-methoxyethyl)-6-methyl-N-[(E)-2-methylpent-2-enyl]cyclohepta-1,3,5-trien-1-amine
SMILESCC/C=C(\C)CN(CCOC)C1=CC=CC=C(C)C1
InChIInChI=1S/C17H27NO/c1-5-8-16(3)14-18(11-12-19-4)17-10-7-6-9-15(2)13-17/h6-10H,5,11-14H2,1-4H3/b16-8+
InChIKeyWEWGPUJCHZFUIS-LZYBPNLTSA-N
XLogP4.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.08
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-(2-methoxyethyl)-6-methyl-N-[(E)-2-methylpent-2-enyl]cyclohepta-1,3,5-trien-1-amine?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-N-[(E)-2-methylpent-2-enyl]cyclohepta-1,3,5-trien-1-amine (CID 142844445) is N-(2-methoxyethyl)-6-methyl-N-[(E)-2-methylpent-2-enyl]cyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-N-[(E)-2-methylpent-2-enyl]cyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-N-[(E)-2-methylpent-2-enyl]cyclohepta-1,3,5-trien-1-amine is CC/C=C(\C)CN(CCOC)C1=CC=CC=C(C)C1.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-N-[(E)-2-methylpent-2-enyl]cyclohepta-1,3,5-trien-1-amine?
The InChIKey is WEWGPUJCHZFUIS-LZYBPNLTSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-8-16(3)14-18(11-12-19-4)17-10-7-6-9-15(2)13-17/h6-10H,5,11-14H2,1-4H3/b16-8+.
What are the key properties of N-(2-methoxyethyl)-6-methyl-N-[(E)-2-methylpent-2-enyl]cyclohepta-1,3,5-trien-1-amine?
N-(2-methoxyethyl)-6-methyl-N-[(E)-2-methylpent-2-enyl]cyclohepta-1,3,5-trien-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-methyl-N-[(E)-2-methylpent-2-enyl]cyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 142844445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).