(2E,4Z)-4-[2-(1,4-oxazepan-4-yl)ethyl]hepta-2,4,6-trien-2-amine

C14H24N2O — CID 143407588

IUPAC(2E,4Z)-4-[2-(1,4-oxazepan-4-yl)ethyl]hepta-2,4,6-trien-2-amine
SMILESC=C/C=C(\C=C(/C)N)CCN1CCCOCC1
InChIInChI=1S/C14H24N2O/c1-3-5-14(12-13(2)15)6-8-16-7-4-10-17-11-9-16/h3,5,12H,1,4,6-11,15H2,2H3/b13-12+,14-5-
InChIKeyCWEMSDMGEQBDPS-FAZSIYGLSA-N
MW236.36 g/mol
LogP2.07
Rot. Bonds5

About (2E,4Z)-4-[2-(1,4-oxazepan-4-yl)ethyl]hepta-2,4,6-trien-2-amine

(2E,4Z)-4-[2-(1,4-oxazepan-4-yl)ethyl]hepta-2,4,6-trien-2-amine (PubChem CID 143407588) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (2E,4Z)-4-[2-(1,4-oxazepan-4-yl)ethyl]hepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-4-[2-(1,4-oxazepan-4-yl)ethyl]hepta-2,4,6-trien-2-amine
PubChem CID143407588
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(2E,4Z)-4-[2-(1,4-oxazepan-4-yl)ethyl]hepta-2,4,6-trien-2-amine
SMILESC=C/C=C(\C=C(/C)N)CCN1CCCOCC1
InChIInChI=1S/C14H24N2O/c1-3-5-14(12-13(2)15)6-8-16-7-4-10-17-11-9-16/h3,5,12H,1,4,6-11,15H2,2H3/b13-12+,14-5-
InChIKeyCWEMSDMGEQBDPS-FAZSIYGLSA-N
XLogP2.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,4Z)-4-[2-(1,4-oxazepan-4-yl)ethyl]hepta-2,4,6-trien-2-amine with MolForge

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Related Compounds

1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine
CID 144835688
methanamine;4-propyl-1,4-oxazepane
CID 169188972
buta-1,3-diene;ethane;4-methyl-1,4-oxazepane
CID 142311496
3-(1,4-oxazepan-4-yl)propan-1-amine
CID 59833420
4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine
CID 143805483
1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine
CID 79328295
acetamide;2-morpholin-4-ylethanamine
CID 158022700
4-[2-[(2Z,4Z)-4-(2-methylpropyl)hepta-2,4,6-trienoxy]ethyl]morpholine
CID 142259012
3-morpholin-4-ylpropanoyl chloride
CID 18967893
(1E,2E)-1-[1-[2-[methyl(3-morpholin-4-ylpropyl)amino]ethyl]piperidin-2-ylidene]penta-2,4-dien-2-amine
CID 134503160
(2Z)-3-(2-morpholin-4-ylethoxy)penta-2,4-dien-2-ol
CID 155441773
2-amino-2-methyl-4-(1,4-oxazepan-4-yl)butanenitrile
CID 62974570

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-[2-(1,4-oxazepan-4-yl)ethyl]hepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4Z)-4-[2-(1,4-oxazepan-4-yl)ethyl]hepta-2,4,6-trien-2-amine (CID 143407588) is (2E,4Z)-4-[2-(1,4-oxazepan-4-yl)ethyl]hepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4Z)-4-[2-(1,4-oxazepan-4-yl)ethyl]hepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4Z)-4-[2-(1,4-oxazepan-4-yl)ethyl]hepta-2,4,6-trien-2-amine is C=C/C=C(\C=C(/C)N)CCN1CCCOCC1.
What is the InChIKey of (2E,4Z)-4-[2-(1,4-oxazepan-4-yl)ethyl]hepta-2,4,6-trien-2-amine?
The InChIKey is CWEMSDMGEQBDPS-FAZSIYGLSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-5-14(12-13(2)15)6-8-16-7-4-10-17-11-9-16/h3,5,12H,1,4,6-11,15H2,2H3/b13-12+,14-5-.
What are the key properties of (2E,4Z)-4-[2-(1,4-oxazepan-4-yl)ethyl]hepta-2,4,6-trien-2-amine?
(2E,4Z)-4-[2-(1,4-oxazepan-4-yl)ethyl]hepta-2,4,6-trien-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-[2-(1,4-oxazepan-4-yl)ethyl]hepta-2,4,6-trien-2-amine is sourced from PubChem (CID 143407588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).