(Z)-N-(4-methoxybutyl)-N,2-dimethyl-3-methylideneoct-4-en-1-amine

C16H31NO — CID 166649643

IUPAC(Z)-N-(4-methoxybutyl)-N,2-dimethyl-3-methylideneoct-4-en-1-amine
SMILESC=C(/C=C\CCC)C(C)CN(C)CCCCOC
InChIInChI=1S/C16H31NO/c1-6-7-8-11-15(2)16(3)14-17(4)12-9-10-13-18-5/h8,11,16H,2,6-7,9-10,12-14H2,1,3-5H3/b11-8-
InChIKeyTUVYIITZPLWHDF-FLIBITNWSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds11

About (Z)-N-(4-methoxybutyl)-N,2-dimethyl-3-methylideneoct-4-en-1-amine

(Z)-N-(4-methoxybutyl)-N,2-dimethyl-3-methylideneoct-4-en-1-amine (PubChem CID 166649643) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is (Z)-N-(4-methoxybutyl)-N,2-dimethyl-3-methylideneoct-4-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(4-methoxybutyl)-N,2-dimethyl-3-methylideneoct-4-en-1-amine
PubChem CID166649643
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name(Z)-N-(4-methoxybutyl)-N,2-dimethyl-3-methylideneoct-4-en-1-amine
SMILESC=C(/C=C\CCC)C(C)CN(C)CCCCOC
InChIInChI=1S/C16H31NO/c1-6-7-8-11-15(2)16(3)14-17(4)12-9-10-13-18-5/h8,11,16H,2,6-7,9-10,12-14H2,1,3-5H3/b11-8-
InChIKeyTUVYIITZPLWHDF-FLIBITNWSA-N
XLogP3.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-methoxybutyl)-N,2-dimethyl-3-methylideneoct-4-en-1-amine?
The IUPAC name of (Z)-N-(4-methoxybutyl)-N,2-dimethyl-3-methylideneoct-4-en-1-amine (CID 166649643) is (Z)-N-(4-methoxybutyl)-N,2-dimethyl-3-methylideneoct-4-en-1-amine.
What is the SMILES notation for (Z)-N-(4-methoxybutyl)-N,2-dimethyl-3-methylideneoct-4-en-1-amine?
The canonical SMILES for (Z)-N-(4-methoxybutyl)-N,2-dimethyl-3-methylideneoct-4-en-1-amine is C=C(/C=C\CCC)C(C)CN(C)CCCCOC.
What is the InChIKey of (Z)-N-(4-methoxybutyl)-N,2-dimethyl-3-methylideneoct-4-en-1-amine?
The InChIKey is TUVYIITZPLWHDF-FLIBITNWSA-N. The full InChI is InChI=1S/C16H31NO/c1-6-7-8-11-15(2)16(3)14-17(4)12-9-10-13-18-5/h8,11,16H,2,6-7,9-10,12-14H2,1,3-5H3/b11-8-.
What are the key properties of (Z)-N-(4-methoxybutyl)-N,2-dimethyl-3-methylideneoct-4-en-1-amine?
(Z)-N-(4-methoxybutyl)-N,2-dimethyl-3-methylideneoct-4-en-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.89, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-methoxybutyl)-N,2-dimethyl-3-methylideneoct-4-en-1-amine is sourced from PubChem (CID 166649643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).