(2E)-2-[(Z)-2-[3-(dimethylamino)propoxy]ethenyl]penta-2,4-dien-1-amine

C12H22N2O — CID 142169659

IUPAC(2E)-2-[(Z)-2-[3-(dimethylamino)propoxy]ethenyl]penta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C/OCCCN(C)C)CN
InChIInChI=1S/C12H22N2O/c1-4-6-12(11-13)7-10-15-9-5-8-14(2)3/h4,6-7,10H,1,5,8-9,11,13H2,2-3H3/b10-7-,12-6+
InChIKeyJXTVYJZZFGBCDA-QNNOERFZSA-N
MW210.32 g/mol
LogP1.54
Rot. Bonds8

About (2E)-2-[(Z)-2-[3-(dimethylamino)propoxy]ethenyl]penta-2,4-dien-1-amine

(2E)-2-[(Z)-2-[3-(dimethylamino)propoxy]ethenyl]penta-2,4-dien-1-amine (PubChem CID 142169659) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2E)-2-[(Z)-2-[3-(dimethylamino)propoxy]ethenyl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-[(Z)-2-[3-(dimethylamino)propoxy]ethenyl]penta-2,4-dien-1-amine
PubChem CID142169659
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2E)-2-[(Z)-2-[3-(dimethylamino)propoxy]ethenyl]penta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C/OCCCN(C)C)CN
InChIInChI=1S/C12H22N2O/c1-4-6-12(11-13)7-10-15-9-5-8-14(2)3/h4,6-7,10H,1,5,8-9,11,13H2,2-3H3/b10-7-,12-6+
InChIKeyJXTVYJZZFGBCDA-QNNOERFZSA-N
XLogP1.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2E)-2-[(Z)-2-[3-(dimethylamino)propoxy]ethenyl]penta-2,4-dien-1-amine?
The IUPAC name of (2E)-2-[(Z)-2-[3-(dimethylamino)propoxy]ethenyl]penta-2,4-dien-1-amine (CID 142169659) is (2E)-2-[(Z)-2-[3-(dimethylamino)propoxy]ethenyl]penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2-[(Z)-2-[3-(dimethylamino)propoxy]ethenyl]penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-2-[(Z)-2-[3-(dimethylamino)propoxy]ethenyl]penta-2,4-dien-1-amine is C=C/C=C(\C=C/OCCCN(C)C)CN.
What is the InChIKey of (2E)-2-[(Z)-2-[3-(dimethylamino)propoxy]ethenyl]penta-2,4-dien-1-amine?
The InChIKey is JXTVYJZZFGBCDA-QNNOERFZSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-6-12(11-13)7-10-15-9-5-8-14(2)3/h4,6-7,10H,1,5,8-9,11,13H2,2-3H3/b10-7-,12-6+.
What are the key properties of (2E)-2-[(Z)-2-[3-(dimethylamino)propoxy]ethenyl]penta-2,4-dien-1-amine?
(2E)-2-[(Z)-2-[3-(dimethylamino)propoxy]ethenyl]penta-2,4-dien-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-2-[3-(dimethylamino)propoxy]ethenyl]penta-2,4-dien-1-amine is sourced from PubChem (CID 142169659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).