(2Z,4Z,7Z)-6-(2-aminoethyl)-7-methyldeca-2,4,7-trien-4-ol

C13H23NO — CID 88964788

IUPAC(2Z,4Z,7Z)-6-(2-aminoethyl)-7-methyldeca-2,4,7-trien-4-ol
SMILESC/C=C\C(O)=C\C(CCN)/C(C)=C\CC
InChIInChI=1S/C13H23NO/c1-4-6-11(3)12(8-9-14)10-13(15)7-5-2/h5-7,10,12,15H,4,8-9,14H2,1-3H3/b7-5-,11-6-,13-10-
InChIKeyCZGVJPLOZNBLJO-ZEZZKKRISA-N
MW209.33 g/mol
LogP3.33
Rot. Bonds6

About (2Z,4Z,7Z)-6-(2-aminoethyl)-7-methyldeca-2,4,7-trien-4-ol

(2Z,4Z,7Z)-6-(2-aminoethyl)-7-methyldeca-2,4,7-trien-4-ol (PubChem CID 88964788) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2Z,4Z,7Z)-6-(2-aminoethyl)-7-methyldeca-2,4,7-trien-4-ol.

Molecular Properties

Compound Name(2Z,4Z,7Z)-6-(2-aminoethyl)-7-methyldeca-2,4,7-trien-4-ol
PubChem CID88964788
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2Z,4Z,7Z)-6-(2-aminoethyl)-7-methyldeca-2,4,7-trien-4-ol
SMILESC/C=C\C(O)=C\C(CCN)/C(C)=C\CC
InChIInChI=1S/C13H23NO/c1-4-6-11(3)12(8-9-14)10-13(15)7-5-2/h5-7,10,12,15H,4,8-9,14H2,1-3H3/b7-5-,11-6-,13-10-
InChIKeyCZGVJPLOZNBLJO-ZEZZKKRISA-N
XLogP3.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4Z,7Z)-6-(2-aminoethyl)-7-methyldeca-2,4,7-trien-4-ol 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

[1h]Tyramine
CID 129679817
4-[(2S)-2-amino-3-methylbut-3-enyl]cyclohexa-1,5-dien-1-ol
CID 68397503
4-[(E)-1-aminododec-6-en-3-yl]-2,6-dimethylcyclohexa-1,5-dien-1-ol
CID 70910386
(3E)-7-amino-4-methylhepta-1,3-dien-2-ol
CID 89719801
(4R)-4-(aminomethyl)cyclohepta-1,6-dien-1-ol
CID 90148979
4-[2-(2-Aminopropyl)hexylidene]-3-methylidenecyclohexa-1,5-dien-1-ol
CID 123963648
4-(3-Aminopropyl)-3-methylcyclohexa-1,5-dien-1-ol
CID 139382955
3-Methyl-5-piperidin-4-ylcyclohepta-1,4,6-trien-1-ol
CID 141950511
(3Z,6S,9S)-9-amino-6-methyl-5-methylidenedeca-1,3-dien-2-ol
CID 142093862
4-(2-Aminoethyl)cyclohepta-1,3,6-trien-1-ol
CID 142109544
4-(2-Aminoethyl)cyclohepta-1,3,6-triene-1,2-diol
CID 142237329
4-(Aminomethyl)-6-methylcyclohexa-1,5-dien-1-ol
CID 143064786

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,7Z)-6-(2-aminoethyl)-7-methyldeca-2,4,7-trien-4-ol?
The IUPAC name of (2Z,4Z,7Z)-6-(2-aminoethyl)-7-methyldeca-2,4,7-trien-4-ol (CID 88964788) is (2Z,4Z,7Z)-6-(2-aminoethyl)-7-methyldeca-2,4,7-trien-4-ol.
What is the SMILES notation for (2Z,4Z,7Z)-6-(2-aminoethyl)-7-methyldeca-2,4,7-trien-4-ol?
The canonical SMILES for (2Z,4Z,7Z)-6-(2-aminoethyl)-7-methyldeca-2,4,7-trien-4-ol is C/C=C\C(O)=C\C(CCN)/C(C)=C\CC.
What is the InChIKey of (2Z,4Z,7Z)-6-(2-aminoethyl)-7-methyldeca-2,4,7-trien-4-ol?
The InChIKey is CZGVJPLOZNBLJO-ZEZZKKRISA-N. The full InChI is InChI=1S/C13H23NO/c1-4-6-11(3)12(8-9-14)10-13(15)7-5-2/h5-7,10,12,15H,4,8-9,14H2,1-3H3/b7-5-,11-6-,13-10-.
What are the key properties of (2Z,4Z,7Z)-6-(2-aminoethyl)-7-methyldeca-2,4,7-trien-4-ol?
(2Z,4Z,7Z)-6-(2-aminoethyl)-7-methyldeca-2,4,7-trien-4-ol has a molecular weight of 209.33 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,7Z)-6-(2-aminoethyl)-7-methyldeca-2,4,7-trien-4-ol is sourced from PubChem (CID 88964788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).