(3Z)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine

C12H22N2O — CID 146359903

IUPAC(3Z)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine
SMILESC=C(/C=C\CC)NCCN1CCOCC1
InChIInChI=1S/C12H22N2O/c1-3-4-5-12(2)13-6-7-14-8-10-15-11-9-14/h4-5,13H,2-3,6-11H2,1H3/b5-4-
InChIKeyCYADEDLZHFINPI-PLNGDYQASA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds6

About (3Z)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine

(3Z)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine (PubChem CID 146359903) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (3Z)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine
PubChem CID146359903
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(3Z)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine
SMILESC=C(/C=C\CC)NCCN1CCOCC1
InChIInChI=1S/C12H22N2O/c1-3-4-5-12(2)13-6-7-14-8-10-15-11-9-14/h4-5,13H,2-3,6-11H2,1H3/b5-4-
InChIKeyCYADEDLZHFINPI-PLNGDYQASA-N
XLogP1.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine?
The IUPAC name of (3Z)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine (CID 146359903) is (3Z)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine is C=C(/C=C\CC)NCCN1CCOCC1.
What is the InChIKey of (3Z)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine?
The InChIKey is CYADEDLZHFINPI-PLNGDYQASA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-4-5-12(2)13-6-7-14-8-10-15-11-9-14/h4-5,13H,2-3,6-11H2,1H3/b5-4-.
What are the key properties of (3Z)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine?
(3Z)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine has a molecular weight of 210.32 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(2-morpholin-4-ylethyl)hexa-1,3-dien-2-amine is sourced from PubChem (CID 146359903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).