(2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol;ethane

C11H21NO — CID 145285922

IUPAC(2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol;ethane
SMILESC=C/C=C(\C=C(/C)O)CCN.CC
InChIInChI=1S/C9H15NO.C2H6/c1-3-4-9(5-6-10)7-8(2)11;1-2/h3-4,7,11H,1,5-6,10H2,2H3;1-2H3/b8-7+,9-4-;
InChIKeyMQZZRWSKGLAEGN-OWYYJWJZSA-N
MW183.29 g/mol
LogP2.94
Rot. Bonds4

About (2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol;ethane

(2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol;ethane (PubChem CID 145285922) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol;ethane.

Molecular Properties

Compound Name(2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol;ethane
PubChem CID145285922
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol;ethane
SMILESC=C/C=C(\C=C(/C)O)CCN.CC
InChIInChI=1S/C9H15NO.C2H6/c1-3-4-9(5-6-10)7-8(2)11;1-2/h3-4,7,11H,1,5-6,10H2,2H3;1-2H3/b8-7+,9-4-;
InChIKeyMQZZRWSKGLAEGN-OWYYJWJZSA-N
XLogP2.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.94
H-Bond Donors ≤ 52
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

(2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol
CID 145285923
ethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen
CID 144901462
(3Z,5Z)-3-methylocta-3,5,7-trien-1-amine
CID 89153979
(6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one
CID 163240839
(3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine
CID 88579233
(3Z,4E)-4-chloro-3-ethylidenehepta-4,6-dien-1-amine
CID 166968437
ethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene
CID 143653088
(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane
CID 156821319
acetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine
CID 142262554
(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen
CID 153376117
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol;ethane?
The IUPAC name of (2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol;ethane (CID 145285922) is (2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol;ethane.
What is the SMILES notation for (2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol;ethane?
The canonical SMILES for (2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol;ethane is C=C/C=C(\C=C(/C)O)CCN.CC.
What is the InChIKey of (2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol;ethane?
The InChIKey is MQZZRWSKGLAEGN-OWYYJWJZSA-N. The full InChI is InChI=1S/C9H15NO.C2H6/c1-3-4-9(5-6-10)7-8(2)11;1-2/h3-4,7,11H,1,5-6,10H2,2H3;1-2H3/b8-7+,9-4-;.
What are the key properties of (2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol;ethane?
(2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol;ethane has a molecular weight of 183.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol;ethane is sourced from PubChem (CID 145285922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).