(9Z)-1-amino-2,5-dimethyldodeca-5,6,9-trien-1-ol

C14H25NO — CID 126612291

IUPAC(9Z)-1-amino-2,5-dimethyldodeca-5,6,9-trien-1-ol
SMILESCC/C=C\CC=C=C(C)CCC(C)C(N)O
InChIInChI=1S/C14H25NO/c1-4-5-6-7-8-9-12(2)10-11-13(3)14(15)16/h5-6,8,13-14,16H,4,7,10-11,15H2,1-3H3/b6-5-
InChIKeyLHVRDYFBBDOSIX-WAYWQWQTSA-N
MW223.36 g/mol
LogP3.14
Rot. Bonds7

About (9Z)-1-amino-2,5-dimethyldodeca-5,6,9-trien-1-ol

(9Z)-1-amino-2,5-dimethyldodeca-5,6,9-trien-1-ol (PubChem CID 126612291) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (9Z)-1-amino-2,5-dimethyldodeca-5,6,9-trien-1-ol.

Molecular Properties

Compound Name(9Z)-1-amino-2,5-dimethyldodeca-5,6,9-trien-1-ol
PubChem CID126612291
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(9Z)-1-amino-2,5-dimethyldodeca-5,6,9-trien-1-ol
SMILESCC/C=C\CC=C=C(C)CCC(C)C(N)O
InChIInChI=1S/C14H25NO/c1-4-5-6-7-8-9-12(2)10-11-13(3)14(15)16/h5-6,8,13-14,16H,4,7,10-11,15H2,1-3H3/b6-5-
InChIKeyLHVRDYFBBDOSIX-WAYWQWQTSA-N
XLogP3.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9Z)-1-amino-2,5-dimethyldodeca-5,6,9-trien-1-ol?
The IUPAC name of (9Z)-1-amino-2,5-dimethyldodeca-5,6,9-trien-1-ol (CID 126612291) is (9Z)-1-amino-2,5-dimethyldodeca-5,6,9-trien-1-ol.
What is the SMILES notation for (9Z)-1-amino-2,5-dimethyldodeca-5,6,9-trien-1-ol?
The canonical SMILES for (9Z)-1-amino-2,5-dimethyldodeca-5,6,9-trien-1-ol is CC/C=C\CC=C=C(C)CCC(C)C(N)O.
What is the InChIKey of (9Z)-1-amino-2,5-dimethyldodeca-5,6,9-trien-1-ol?
The InChIKey is LHVRDYFBBDOSIX-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-5-6-7-8-9-12(2)10-11-13(3)14(15)16/h5-6,8,13-14,16H,4,7,10-11,15H2,1-3H3/b6-5-.
What are the key properties of (9Z)-1-amino-2,5-dimethyldodeca-5,6,9-trien-1-ol?
(9Z)-1-amino-2,5-dimethyldodeca-5,6,9-trien-1-ol has a molecular weight of 223.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-1-amino-2,5-dimethyldodeca-5,6,9-trien-1-ol is sourced from PubChem (CID 126612291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).