(2Z,4E)-4-(morpholin-4-ylmethyl)hepta-2,4-dien-1-amine

C12H22N2O — CID 143525197

IUPAC(2Z,4E)-4-(morpholin-4-ylmethyl)hepta-2,4-dien-1-amine
SMILESCC/C=C(\C=C/CN)CN1CCOCC1
InChIInChI=1S/C12H22N2O/c1-2-4-12(5-3-6-13)11-14-7-9-15-10-8-14/h3-5H,2,6-11,13H2,1H3/b5-3-,12-4+
InChIKeyIGIYGYKQZIXTBH-BVEFSZSYSA-N
MW210.32 g/mol
LogP1.17
Rot. Bonds5

About (2Z,4E)-4-(morpholin-4-ylmethyl)hepta-2,4-dien-1-amine

(2Z,4E)-4-(morpholin-4-ylmethyl)hepta-2,4-dien-1-amine (PubChem CID 143525197) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2Z,4E)-4-(morpholin-4-ylmethyl)hepta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-4-(morpholin-4-ylmethyl)hepta-2,4-dien-1-amine
PubChem CID143525197
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2Z,4E)-4-(morpholin-4-ylmethyl)hepta-2,4-dien-1-amine
SMILESCC/C=C(\C=C/CN)CN1CCOCC1
InChIInChI=1S/C12H22N2O/c1-2-4-12(5-3-6-13)11-14-7-9-15-10-8-14/h3-5H,2,6-11,13H2,1H3/b5-3-,12-4+
InChIKeyIGIYGYKQZIXTBH-BVEFSZSYSA-N
XLogP1.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z,4E)-4-(morpholin-4-ylmethyl)hepta-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dien-1-amine
CID 72671760
(6Z)-3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine
CID 156020897
(e)-4-(2-Methyl-6-methyleneocta-2,7-dien-1-yl)morpholine
CID 137797148
(z)-4-(2-Methyl-6-methyleneocta-2,7-dien-1-yl)morpholine
CID 137797149
CID 145504331
CID 145504331
6-Fluoro-1-methyl-4-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-amine
CID 162439986
4-[(2E,5E)-2-methylhepta-2,5-dienyl]morpholine
CID 12485221
4-[(2E)-2,6-dimethylhepta-2,5-dienyl]morpholine
CID 12485225
4-(Cyclohexa-1,5-dien-1-ylmethyl)morpholine
CID 19738009
2-Methyl-1-morpholino-2,5-heptadiene
CID 53810439
4-(2,6-Dimethylhepta-2,5-dienyl)morpholine
CID 54277974
4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 57283088

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-(morpholin-4-ylmethyl)hepta-2,4-dien-1-amine?
The IUPAC name of (2Z,4E)-4-(morpholin-4-ylmethyl)hepta-2,4-dien-1-amine (CID 143525197) is (2Z,4E)-4-(morpholin-4-ylmethyl)hepta-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4E)-4-(morpholin-4-ylmethyl)hepta-2,4-dien-1-amine?
The canonical SMILES for (2Z,4E)-4-(morpholin-4-ylmethyl)hepta-2,4-dien-1-amine is CC/C=C(\C=C/CN)CN1CCOCC1.
What is the InChIKey of (2Z,4E)-4-(morpholin-4-ylmethyl)hepta-2,4-dien-1-amine?
The InChIKey is IGIYGYKQZIXTBH-BVEFSZSYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-4-12(5-3-6-13)11-14-7-9-15-10-8-14/h3-5H,2,6-11,13H2,1H3/b5-3-,12-4+.
What are the key properties of (2Z,4E)-4-(morpholin-4-ylmethyl)hepta-2,4-dien-1-amine?
(2Z,4E)-4-(morpholin-4-ylmethyl)hepta-2,4-dien-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-(morpholin-4-ylmethyl)hepta-2,4-dien-1-amine is sourced from PubChem (CID 143525197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).