N'-ethyl-N'-methyl-N-[(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-yl]ethane-1,2-diamine

C16H29N3O — CID 142099637

IUPACN'-ethyl-N'-methyl-N-[(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-yl]ethane-1,2-diamine
SMILESC/C=C\C(=C/C=C/N1CCOCC1)NCCN(C)CC
InChIInChI=1S/C16H29N3O/c1-4-7-16(17-9-11-18(3)5-2)8-6-10-19-12-14-20-15-13-19/h4,6-8,10,17H,5,9,11-15H2,1-3H3/b7-4-,10-6+,16-8+
InChIKeyLROWGRIMOAMXFY-MRBLXUNJSA-N
MW279.43 g/mol
LogP1.83
Rot. Bonds8

About N'-ethyl-N'-methyl-N-[(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-yl]ethane-1,2-diamine

N'-ethyl-N'-methyl-N-[(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-yl]ethane-1,2-diamine (PubChem CID 142099637) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-[(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-[(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-yl]ethane-1,2-diamine
PubChem CID142099637
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN'-ethyl-N'-methyl-N-[(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-yl]ethane-1,2-diamine
SMILESC/C=C\C(=C/C=C/N1CCOCC1)NCCN(C)CC
InChIInChI=1S/C16H29N3O/c1-4-7-16(17-9-11-18(3)5-2)8-6-10-19-12-14-20-15-13-19/h4,6-8,10,17H,5,9,11-15H2,1-3H3/b7-4-,10-6+,16-8+
InChIKeyLROWGRIMOAMXFY-MRBLXUNJSA-N
XLogP1.83
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
N-(2-morpholin-4-ylethyl)prop-1-en-1-amine
CID 57636132
5-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 66936530
morpholine;1-prop-2-enyl-2H-pyridine
CID 70522385
(2Z,4Z)-1-morpholin-4-ylhepta-2,4,6-trien-2-amine
CID 88529765
(3-morpholin-4-yl-1H-pyridin-2-ylidene)methanone
CID 88611252
N-(2-morpholin-4-ylethyl)buta-1,3-dien-2-amine
CID 88867286
(2Z,4E,6E)-7-morpholin-4-ylocta-2,4,6-trien-4-amine
CID 88899217
(1E,3Z)-5-morpholin-4-ylhexa-1,3,5-triene-1,2-diamine
CID 88943444
(1Z,3E)-5-N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine
CID 89121450
(2E)-1-N-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]penta-2,4-diene-1,2-diamine
CID 89153847
(3E,5E)-6-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-amine
CID 89215091

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-[(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-methyl-N-[(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-yl]ethane-1,2-diamine (CID 142099637) is N'-ethyl-N'-methyl-N-[(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-[(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-[(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-yl]ethane-1,2-diamine is C/C=C\C(=C/C=C/N1CCOCC1)NCCN(C)CC.
What is the InChIKey of N'-ethyl-N'-methyl-N-[(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-yl]ethane-1,2-diamine?
The InChIKey is LROWGRIMOAMXFY-MRBLXUNJSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-7-16(17-9-11-18(3)5-2)8-6-10-19-12-14-20-15-13-19/h4,6-8,10,17H,5,9,11-15H2,1-3H3/b7-4-,10-6+,16-8+.
What are the key properties of N'-ethyl-N'-methyl-N-[(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-yl]ethane-1,2-diamine?
N'-ethyl-N'-methyl-N-[(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-yl]ethane-1,2-diamine has a molecular weight of 279.43 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-[(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 142099637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).