(3E,5E)-N-methyl-5-propan-2-yloxyhepta-3,5-dien-3-amine

C11H21NO — CID 89088325

IUPAC(3E,5E)-N-methyl-5-propan-2-yloxyhepta-3,5-dien-3-amine
SMILESC/C=C(\C=C(/CC)NC)OC(C)C
InChIInChI=1S/C11H21NO/c1-6-10(12-5)8-11(7-2)13-9(3)4/h7-9,12H,6H2,1-5H3/b10-8+,11-7+
InChIKeyZDBXJKXFYMVLLC-VTTRTIMMSA-N
MW183.29 g/mol
LogP2.83
Rot. Bonds5

About (3E,5E)-N-methyl-5-propan-2-yloxyhepta-3,5-dien-3-amine

(3E,5E)-N-methyl-5-propan-2-yloxyhepta-3,5-dien-3-amine (PubChem CID 89088325) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3E,5E)-N-methyl-5-propan-2-yloxyhepta-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5E)-N-methyl-5-propan-2-yloxyhepta-3,5-dien-3-amine
PubChem CID89088325
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3E,5E)-N-methyl-5-propan-2-yloxyhepta-3,5-dien-3-amine
SMILESC/C=C(\C=C(/CC)NC)OC(C)C
InChIInChI=1S/C11H21NO/c1-6-10(12-5)8-11(7-2)13-9(3)4/h7-9,12H,6H2,1-5H3/b10-8+,11-7+
InChIKeyZDBXJKXFYMVLLC-VTTRTIMMSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-N-methyl-5-propan-2-yloxyhepta-3,5-dien-3-amine?
The IUPAC name of (3E,5E)-N-methyl-5-propan-2-yloxyhepta-3,5-dien-3-amine (CID 89088325) is (3E,5E)-N-methyl-5-propan-2-yloxyhepta-3,5-dien-3-amine.
What is the SMILES notation for (3E,5E)-N-methyl-5-propan-2-yloxyhepta-3,5-dien-3-amine?
The canonical SMILES for (3E,5E)-N-methyl-5-propan-2-yloxyhepta-3,5-dien-3-amine is C/C=C(\C=C(/CC)NC)OC(C)C.
What is the InChIKey of (3E,5E)-N-methyl-5-propan-2-yloxyhepta-3,5-dien-3-amine?
The InChIKey is ZDBXJKXFYMVLLC-VTTRTIMMSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-10(12-5)8-11(7-2)13-9(3)4/h7-9,12H,6H2,1-5H3/b10-8+,11-7+.
What are the key properties of (3E,5E)-N-methyl-5-propan-2-yloxyhepta-3,5-dien-3-amine?
(3E,5E)-N-methyl-5-propan-2-yloxyhepta-3,5-dien-3-amine has a molecular weight of 183.29 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-N-methyl-5-propan-2-yloxyhepta-3,5-dien-3-amine is sourced from PubChem (CID 89088325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).