11-amino-4-methoxy-14-methylpentadeca-5,14-dien-3-ol

C17H33NO2 — CID 123998171

IUPAC11-amino-4-methoxy-14-methylpentadeca-5,14-dien-3-ol
SMILESC=C(C)CCC(N)CCCCC=CC(OC)C(O)CC
InChIInChI=1S/C17H33NO2/c1-5-16(19)17(20-4)11-9-7-6-8-10-15(18)13-12-14(2)3/h9,11,15-17,19H,2,5-8,10,12-13,18H2,1,3-4H3
InChIKeyQLJKXYBABLOWMO-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.57
Rot. Bonds12

About 11-amino-4-methoxy-14-methylpentadeca-5,14-dien-3-ol

11-amino-4-methoxy-14-methylpentadeca-5,14-dien-3-ol (PubChem CID 123998171) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 11-amino-4-methoxy-14-methylpentadeca-5,14-dien-3-ol.

Molecular Properties

Compound Name11-amino-4-methoxy-14-methylpentadeca-5,14-dien-3-ol
PubChem CID123998171
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name11-amino-4-methoxy-14-methylpentadeca-5,14-dien-3-ol
SMILESC=C(C)CCC(N)CCCCC=CC(OC)C(O)CC
InChIInChI=1S/C17H33NO2/c1-5-16(19)17(20-4)11-9-7-6-8-10-15(18)13-12-14(2)3/h9,11,15-17,19H,2,5-8,10,12-13,18H2,1,3-4H3
InChIKeyQLJKXYBABLOWMO-UHFFFAOYSA-N
XLogP3.57
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-amino-4-methoxy-14-methylpentadeca-5,14-dien-3-ol?
The IUPAC name of 11-amino-4-methoxy-14-methylpentadeca-5,14-dien-3-ol (CID 123998171) is 11-amino-4-methoxy-14-methylpentadeca-5,14-dien-3-ol.
What is the SMILES notation for 11-amino-4-methoxy-14-methylpentadeca-5,14-dien-3-ol?
The canonical SMILES for 11-amino-4-methoxy-14-methylpentadeca-5,14-dien-3-ol is C=C(C)CCC(N)CCCCC=CC(OC)C(O)CC.
What is the InChIKey of 11-amino-4-methoxy-14-methylpentadeca-5,14-dien-3-ol?
The InChIKey is QLJKXYBABLOWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-5-16(19)17(20-4)11-9-7-6-8-10-15(18)13-12-14(2)3/h9,11,15-17,19H,2,5-8,10,12-13,18H2,1,3-4H3.
What are the key properties of 11-amino-4-methoxy-14-methylpentadeca-5,14-dien-3-ol?
11-amino-4-methoxy-14-methylpentadeca-5,14-dien-3-ol has a molecular weight of 283.46 g/mol, XLogP of 3.57, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-4-methoxy-14-methylpentadeca-5,14-dien-3-ol is sourced from PubChem (CID 123998171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).