(4E)-5-amino-2,6-dimethylhepta-2,4,6-trien-3-ol;ethane

C11H21NO — CID 144914692

IUPAC(4E)-5-amino-2,6-dimethylhepta-2,4,6-trien-3-ol;ethane
SMILESC=C(C)/C(N)=C\C(O)=C(C)C.CC
InChIInChI=1S/C9H15NO.C2H6/c1-6(2)8(10)5-9(11)7(3)4;1-2/h5,11H,1,10H2,2-4H3;1-2H3/b8-5+;
InChIKeyMJCBXUZZUKLOEZ-HAAWTFQLSA-N
MW183.29 g/mol
LogP3.28
Rot. Bonds2

About (4E)-5-amino-2,6-dimethylhepta-2,4,6-trien-3-ol;ethane

(4E)-5-amino-2,6-dimethylhepta-2,4,6-trien-3-ol;ethane (PubChem CID 144914692) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (4E)-5-amino-2,6-dimethylhepta-2,4,6-trien-3-ol;ethane.

Molecular Properties

Compound Name(4E)-5-amino-2,6-dimethylhepta-2,4,6-trien-3-ol;ethane
PubChem CID144914692
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(4E)-5-amino-2,6-dimethylhepta-2,4,6-trien-3-ol;ethane
SMILESC=C(C)/C(N)=C\C(O)=C(C)C.CC
InChIInChI=1S/C9H15NO.C2H6/c1-6(2)8(10)5-9(11)7(3)4;1-2/h5,11H,1,10H2,2-4H3;1-2H3/b8-5+;
InChIKeyMJCBXUZZUKLOEZ-HAAWTFQLSA-N
XLogP3.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.28
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

2-Amino-4-methylbenzene-5-id-1-ol;yttrium
CID 57832769
4-Amino-2-methylbenzene-6-id-1-ol;yttrium
CID 57888499
2-Amino-4-methylbenzene-6-id-1-ol;yttrium
CID 58597155
4-Amino-2,6-dimethylbenzene-5-id-1-ol;yttrium
CID 59839387
2-Amino-3,4-dimethylbenzene-6-id-1-ol;yttrium
CID 60070095
(3E,5Z)-6-amino-2,4-dimethylhepta-1,3,5-trien-3-ol
CID 88226427
(2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol
CID 88566743
(3Z,5Z)-3-amino-2-methylhepta-1,3,5-trien-4-ol
CID 88890672
(2E,4E)-4-amino-7-methylocta-2,4,7-trien-3-ol
CID 89010550
5-Diazenyl-6-methylcyclohepta-1,4,6-trien-1-ol
CID 89546393
(3Z,5E,7Z)-3-amino-5-ethyldeca-1,3,5,7,9-pentaen-4-ol
CID 126490034
(3Z,5Z)-3,6-diamino-2-methylhepta-3,5-dien-2-ol
CID 126747543

Frequently Asked Questions

What is the IUPAC name of (4E)-5-amino-2,6-dimethylhepta-2,4,6-trien-3-ol;ethane?
The IUPAC name of (4E)-5-amino-2,6-dimethylhepta-2,4,6-trien-3-ol;ethane (CID 144914692) is (4E)-5-amino-2,6-dimethylhepta-2,4,6-trien-3-ol;ethane.
What is the SMILES notation for (4E)-5-amino-2,6-dimethylhepta-2,4,6-trien-3-ol;ethane?
The canonical SMILES for (4E)-5-amino-2,6-dimethylhepta-2,4,6-trien-3-ol;ethane is C=C(C)/C(N)=C\C(O)=C(C)C.CC.
What is the InChIKey of (4E)-5-amino-2,6-dimethylhepta-2,4,6-trien-3-ol;ethane?
The InChIKey is MJCBXUZZUKLOEZ-HAAWTFQLSA-N. The full InChI is InChI=1S/C9H15NO.C2H6/c1-6(2)8(10)5-9(11)7(3)4;1-2/h5,11H,1,10H2,2-4H3;1-2H3/b8-5+;.
What are the key properties of (4E)-5-amino-2,6-dimethylhepta-2,4,6-trien-3-ol;ethane?
(4E)-5-amino-2,6-dimethylhepta-2,4,6-trien-3-ol;ethane has a molecular weight of 183.29 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-amino-2,6-dimethylhepta-2,4,6-trien-3-ol;ethane is sourced from PubChem (CID 144914692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).