ethane;(2E,4E)-4-methoxy-N-propylhepta-2,4,6-trien-3-amine

C15H31NO — CID 143534296

IUPACethane;(2E,4E)-4-methoxy-N-propylhepta-2,4,6-trien-3-amine
SMILESC=C/C=C(OC)\C(=C/C)NCCC.CC.CC
InChIInChI=1S/C11H19NO.2C2H6/c1-5-8-11(13-4)10(7-3)12-9-6-2;2*1-2/h5,7-8,12H,1,6,9H2,2-4H3;2*1-2H3/b10-7+,11-8+;;
InChIKeyWZUIRYKNBLAANS-VHZUSOFISA-N
MW241.42 g/mol
LogP4.66
Rot. Bonds6

About ethane;(2E,4E)-4-methoxy-N-propylhepta-2,4,6-trien-3-amine

ethane;(2E,4E)-4-methoxy-N-propylhepta-2,4,6-trien-3-amine (PubChem CID 143534296) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is ethane;(2E,4E)-4-methoxy-N-propylhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Nameethane;(2E,4E)-4-methoxy-N-propylhepta-2,4,6-trien-3-amine
PubChem CID143534296
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Nameethane;(2E,4E)-4-methoxy-N-propylhepta-2,4,6-trien-3-amine
SMILESC=C/C=C(OC)\C(=C/C)NCCC.CC.CC
InChIInChI=1S/C11H19NO.2C2H6/c1-5-8-11(13-4)10(7-3)12-9-6-2;2*1-2/h5,7-8,12H,1,6,9H2,2-4H3;2*1-2H3/b10-7+,11-8+;;
InChIKeyWZUIRYKNBLAANS-VHZUSOFISA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;(2E,4E)-4-methoxy-N-propylhepta-2,4,6-trien-3-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

(1E,3E)-1,5-dimethoxy-4-N-propylhexa-1,3,5-triene-1,4-diamine
CID 89205482
(2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine
CID 129144493
(3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine
CID 130336935
(3Z)-5-methoxy-N-methylhexa-1,3,5-trien-2-amine
CID 132001281
6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine
CID 132040108
(2E)-4-methoxy-N-propylpenta-2,4-dien-2-amine
CID 134334067
(2E)-N-ethyl-4-methoxypenta-2,4-dien-2-amine
CID 134334192
(2E)-4-methoxy-N-propan-2-ylpenta-2,4-dien-2-amine
CID 134334199
N-propan-2-yl-N'-[(3E,5Z)-2-prop-2-enoxyhepta-1,3,5-trien-3-yl]propane-1,3-diamine
CID 137483900
(5Z,7Z,9Z,11Z,13Z)-3,4-dihydro-2H-cyclododeca[b][1,4]oxazine
CID 141518119
(3E,5E)-5-methoxy-N-methylhepta-1,3,5-trien-3-amine
CID 141911539
6-(Methoxymethyl)-1,2-dihydropyridine
CID 141922770

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4E)-4-methoxy-N-propylhepta-2,4,6-trien-3-amine?
The IUPAC name of ethane;(2E,4E)-4-methoxy-N-propylhepta-2,4,6-trien-3-amine (CID 143534296) is ethane;(2E,4E)-4-methoxy-N-propylhepta-2,4,6-trien-3-amine.
What is the SMILES notation for ethane;(2E,4E)-4-methoxy-N-propylhepta-2,4,6-trien-3-amine?
The canonical SMILES for ethane;(2E,4E)-4-methoxy-N-propylhepta-2,4,6-trien-3-amine is C=C/C=C(OC)\C(=C/C)NCCC.CC.CC.
What is the InChIKey of ethane;(2E,4E)-4-methoxy-N-propylhepta-2,4,6-trien-3-amine?
The InChIKey is WZUIRYKNBLAANS-VHZUSOFISA-N. The full InChI is InChI=1S/C11H19NO.2C2H6/c1-5-8-11(13-4)10(7-3)12-9-6-2;2*1-2/h5,7-8,12H,1,6,9H2,2-4H3;2*1-2H3/b10-7+,11-8+;;.
What are the key properties of ethane;(2E,4E)-4-methoxy-N-propylhepta-2,4,6-trien-3-amine?
ethane;(2E,4E)-4-methoxy-N-propylhepta-2,4,6-trien-3-amine has a molecular weight of 241.42 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4E)-4-methoxy-N-propylhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 143534296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).