ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine

C9H17NO — CID 170974286

IUPACethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine
SMILESC=C/C(=C\C(=C)N)OC.CC
InChIInChI=1S/C7H11NO.C2H6/c1-4-7(9-3)5-6(2)8;1-2/h4-5H,1-2,8H2,3H3;1-2H3/b7-5+;
InChIKeyUDYQTUQLJAZAQR-GZOLSCHFSA-N
MW155.24 g/mol
LogP2.20
Rot. Bonds3

About ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine

ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine (PubChem CID 170974286) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Nameethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine
PubChem CID170974286
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Nameethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine
SMILESC=C/C(=C\C(=C)N)OC.CC
InChIInChI=1S/C7H11NO.C2H6/c1-4-7(9-3)5-6(2)8;1-2/h4-5H,1-2,8H2,3H3;1-2H3/b7-5+;
InChIKeyUDYQTUQLJAZAQR-GZOLSCHFSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.20
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'}

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Related Compounds

4-methoxyhexa-3,5-dien-2-one
CID 71435103
[(2Z,4E)-5-methoxyhepta-2,4,6-trien-3-yl]boronic acid
CID 143927143
(1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine
CID 89010016
(3E)-4,5-dimethoxyhexa-1,3,5-trien-2-amine
CID 143245209
(3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene
CID 155039162
(1E)-2-methoxy-1-methylsulfanylbuta-1,3-diene
CID 178133797
(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine
CID 144610850
methyl (1E)-N-(1-aminoethenyl)prop-2-enimidate
CID 176972059
ethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine
CID 144803149
ethane;N-methylethenamine;(3E)-4-(5-methylspiro[2.3]hexan-5-yl)hexa-1,3,5-trien-2-amine
CID 166079613
ethane;1-methoxyethenamine;2-methylprop-1-en-1-amine
CID 168977027
N-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide
CID 178170806

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine?
The IUPAC name of ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine (CID 170974286) is ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine.
What is the SMILES notation for ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine?
The canonical SMILES for ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine is C=C/C(=C\C(=C)N)OC.CC.
What is the InChIKey of ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine?
The InChIKey is UDYQTUQLJAZAQR-GZOLSCHFSA-N. The full InChI is InChI=1S/C7H11NO.C2H6/c1-4-7(9-3)5-6(2)8;1-2/h4-5H,1-2,8H2,3H3;1-2H3/b7-5+;.
What are the key properties of ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine?
ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine has a molecular weight of 155.24 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 170974286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).