ethane;(3Z)-N-methyl-5-morpholin-4-ylhexa-1,3,5-trien-2-amine

C13H24N2O — CID 142239100

IUPACethane;(3Z)-N-methyl-5-morpholin-4-ylhexa-1,3,5-trien-2-amine
SMILESC=C(/C=C\C(=C)N1CCOCC1)NC.CC
InChIInChI=1S/C11H18N2O.C2H6/c1-10(12-3)4-5-11(2)13-6-8-14-9-7-13;1-2/h4-5,12H,1-2,6-9H2,3H3;1-2H3/b5-4-;
InChIKeyHKRGZMOHCWFDNF-MKWAYWHRSA-N
MW224.35 g/mol
LogP2.15
Rot. Bonds4

About ethane;(3Z)-N-methyl-5-morpholin-4-ylhexa-1,3,5-trien-2-amine

ethane;(3Z)-N-methyl-5-morpholin-4-ylhexa-1,3,5-trien-2-amine (PubChem CID 142239100) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is ethane;(3Z)-N-methyl-5-morpholin-4-ylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Nameethane;(3Z)-N-methyl-5-morpholin-4-ylhexa-1,3,5-trien-2-amine
PubChem CID142239100
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Nameethane;(3Z)-N-methyl-5-morpholin-4-ylhexa-1,3,5-trien-2-amine
SMILESC=C(/C=C\C(=C)N1CCOCC1)NC.CC
InChIInChI=1S/C11H18N2O.C2H6/c1-10(12-3)4-5-11(2)13-6-8-14-9-7-13;1-2/h4-5,12H,1-2,6-9H2,3H3;1-2H3/b5-4-;
InChIKeyHKRGZMOHCWFDNF-MKWAYWHRSA-N
XLogP2.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine
CID 89215137
(2E,4Z)-1-fluoro-6-morpholin-4-ylhexa-2,4-dien-3-amine
CID 89774520
(3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine
CID 142898847
(2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine
CID 143062168
N-methylmorpholinium dihydropyridinethiolate
CID 129764221
(2E,4Z)-3,5-difluoro-4-morpholin-4-ylhepta-2,4,6-trien-1-amine
CID 142263642
3-fluoro-N-methyl-4-morpholin-4-ylcyclohepta-2,4,6-trien-1-amine
CID 143162412
4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine
CID 12856185
4-[(3E)-penta-1,3-dien-3-yl]morpholine
CID 22149528
4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine
CID 68543856
morpholine;1-prop-2-enyl-2H-pyridine
CID 70522385
(2Z,4Z)-1-morpholin-4-ylhepta-2,4,6-trien-2-amine
CID 88529765

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-N-methyl-5-morpholin-4-ylhexa-1,3,5-trien-2-amine?
The IUPAC name of ethane;(3Z)-N-methyl-5-morpholin-4-ylhexa-1,3,5-trien-2-amine (CID 142239100) is ethane;(3Z)-N-methyl-5-morpholin-4-ylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for ethane;(3Z)-N-methyl-5-morpholin-4-ylhexa-1,3,5-trien-2-amine?
The canonical SMILES for ethane;(3Z)-N-methyl-5-morpholin-4-ylhexa-1,3,5-trien-2-amine is C=C(/C=C\C(=C)N1CCOCC1)NC.CC.
What is the InChIKey of ethane;(3Z)-N-methyl-5-morpholin-4-ylhexa-1,3,5-trien-2-amine?
The InChIKey is HKRGZMOHCWFDNF-MKWAYWHRSA-N. The full InChI is InChI=1S/C11H18N2O.C2H6/c1-10(12-3)4-5-11(2)13-6-8-14-9-7-13;1-2/h4-5,12H,1-2,6-9H2,3H3;1-2H3/b5-4-;.
What are the key properties of ethane;(3Z)-N-methyl-5-morpholin-4-ylhexa-1,3,5-trien-2-amine?
ethane;(3Z)-N-methyl-5-morpholin-4-ylhexa-1,3,5-trien-2-amine has a molecular weight of 224.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-N-methyl-5-morpholin-4-ylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 142239100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).