(4Z)-N-ethyl-6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-1-amine

C12H21NO — CID 153340026

IUPAC(4Z)-N-ethyl-6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-1-amine
SMILESC=C(/C=C\C(=C)C(C)CNCC)OC
InChIInChI=1S/C12H21NO/c1-6-13-9-11(3)10(2)7-8-12(4)14-5/h7-8,11,13H,2,4,6,9H2,1,3,5H3/b8-7-
InChIKeyULVJRAOWDNNHHP-FPLPWBNLSA-N
MW195.31 g/mol
LogP2.50
Rot. Bonds7

About (4Z)-N-ethyl-6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-1-amine

(4Z)-N-ethyl-6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-1-amine (PubChem CID 153340026) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (4Z)-N-ethyl-6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z)-N-ethyl-6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-1-amine
PubChem CID153340026
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(4Z)-N-ethyl-6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-1-amine
SMILESC=C(/C=C\C(=C)C(C)CNCC)OC
InChIInChI=1S/C12H21NO/c1-6-13-9-11(3)10(2)7-8-12(4)14-5/h7-8,11,13H,2,4,6,9H2,1,3,5H3/b8-7-
InChIKeyULVJRAOWDNNHHP-FPLPWBNLSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.50
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 (4Z)-N-ethyl-6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-1-amine?
The IUPAC name of (4Z)-N-ethyl-6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-1-amine (CID 153340026) is (4Z)-N-ethyl-6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-1-amine.
What is the SMILES notation for (4Z)-N-ethyl-6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-1-amine?
The canonical SMILES for (4Z)-N-ethyl-6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-1-amine is C=C(/C=C\C(=C)C(C)CNCC)OC.
What is the InChIKey of (4Z)-N-ethyl-6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-1-amine?
The InChIKey is ULVJRAOWDNNHHP-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H21NO/c1-6-13-9-11(3)10(2)7-8-12(4)14-5/h7-8,11,13H,2,4,6,9H2,1,3,5H3/b8-7-.
What are the key properties of (4Z)-N-ethyl-6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-1-amine?
(4Z)-N-ethyl-6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-ethyl-6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-1-amine is sourced from PubChem (CID 153340026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).