(2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine

C12H21NO — CID 166850487

IUPAC(2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine
SMILESC=C(C)/C=C(/CC)CNC/C=C/OC
InChIInChI=1S/C12H21NO/c1-5-12(9-11(2)3)10-13-7-6-8-14-4/h6,8-9,13H,2,5,7,10H2,1,3-4H3/b8-6+,12-9-
InChIKeyZLAAAIPHKRIWPL-OHSOCULHSA-N
MW195.31 g/mol
LogP2.65
Rot. Bonds7

About (2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine

(2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine (PubChem CID 166850487) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine
PubChem CID166850487
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine
SMILESC=C(C)/C=C(/CC)CNC/C=C/OC
InChIInChI=1S/C12H21NO/c1-5-12(9-11(2)3)10-13-7-6-8-14-4/h6,8-9,13H,2,5,7,10H2,1,3-4H3/b8-6+,12-9-
InChIKeyZLAAAIPHKRIWPL-OHSOCULHSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine (CID 166850487) is (2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine is C=C(C)/C=C(/CC)CNC/C=C/OC.
What is the InChIKey of (2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine?
The InChIKey is ZLAAAIPHKRIWPL-OHSOCULHSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-12(9-11(2)3)10-13-7-6-8-14-4/h6,8-9,13H,2,5,7,10H2,1,3-4H3/b8-6+,12-9-.
What are the key properties of (2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine?
(2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine is sourced from PubChem (CID 166850487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).