(2E,4Z)-N-(2-methoxyethyl)-6-methylhepta-2,4-dien-2-amine

C11H21NO — CID 138549895

IUPAC(2E,4Z)-N-(2-methoxyethyl)-6-methylhepta-2,4-dien-2-amine
SMILESCOCCN/C(C)=C/C=C\C(C)C
InChIInChI=1S/C11H21NO/c1-10(2)6-5-7-11(3)12-8-9-13-4/h5-7,10,12H,8-9H2,1-4H3/b6-5-,11-7+
InChIKeyHUAQFJVRSGEION-GNLLZQBYSA-N
MW183.29 g/mol
LogP2.34
Rot. Bonds6

About (2E,4Z)-N-(2-methoxyethyl)-6-methylhepta-2,4-dien-2-amine

(2E,4Z)-N-(2-methoxyethyl)-6-methylhepta-2,4-dien-2-amine (PubChem CID 138549895) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2E,4Z)-N-(2-methoxyethyl)-6-methylhepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-N-(2-methoxyethyl)-6-methylhepta-2,4-dien-2-amine
PubChem CID138549895
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2E,4Z)-N-(2-methoxyethyl)-6-methylhepta-2,4-dien-2-amine
SMILESCOCCN/C(C)=C/C=C\C(C)C
InChIInChI=1S/C11H21NO/c1-10(2)6-5-7-11(3)12-8-9-13-4/h5-7,10,12H,8-9H2,1-4H3/b6-5-,11-7+
InChIKeyHUAQFJVRSGEION-GNLLZQBYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
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 (2E,4Z)-N-(2-methoxyethyl)-6-methylhepta-2,4-dien-2-amine?
The IUPAC name of (2E,4Z)-N-(2-methoxyethyl)-6-methylhepta-2,4-dien-2-amine (CID 138549895) is (2E,4Z)-N-(2-methoxyethyl)-6-methylhepta-2,4-dien-2-amine.
What is the SMILES notation for (2E,4Z)-N-(2-methoxyethyl)-6-methylhepta-2,4-dien-2-amine?
The canonical SMILES for (2E,4Z)-N-(2-methoxyethyl)-6-methylhepta-2,4-dien-2-amine is COCCN/C(C)=C/C=C\C(C)C.
What is the InChIKey of (2E,4Z)-N-(2-methoxyethyl)-6-methylhepta-2,4-dien-2-amine?
The InChIKey is HUAQFJVRSGEION-GNLLZQBYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)6-5-7-11(3)12-8-9-13-4/h5-7,10,12H,8-9H2,1-4H3/b6-5-,11-7+.
What are the key properties of (2E,4Z)-N-(2-methoxyethyl)-6-methylhepta-2,4-dien-2-amine?
(2E,4Z)-N-(2-methoxyethyl)-6-methylhepta-2,4-dien-2-amine has a molecular weight of 183.29 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-(2-methoxyethyl)-6-methylhepta-2,4-dien-2-amine is sourced from PubChem (CID 138549895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).