(2Z,4E)-5-methyl-2-(methylamino)nona-2,4-dien-1-ol

C11H21NO — CID 142176183

IUPAC(2Z,4E)-5-methyl-2-(methylamino)nona-2,4-dien-1-ol
SMILESCCCC/C(C)=C/C=C(/CO)NC
InChIInChI=1S/C11H21NO/c1-4-5-6-10(2)7-8-11(9-13)12-3/h7-8,12-13H,4-6,9H2,1-3H3/b10-7+,11-8-
InChIKeyQXNSUBJWUXPPRG-WAKDDQPJSA-N
MW183.29 g/mol
LogP2.22
Rot. Bonds6

About (2Z,4E)-5-methyl-2-(methylamino)nona-2,4-dien-1-ol

(2Z,4E)-5-methyl-2-(methylamino)nona-2,4-dien-1-ol (PubChem CID 142176183) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2Z,4E)-5-methyl-2-(methylamino)nona-2,4-dien-1-ol.

Molecular Properties

Compound Name(2Z,4E)-5-methyl-2-(methylamino)nona-2,4-dien-1-ol
PubChem CID142176183
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2Z,4E)-5-methyl-2-(methylamino)nona-2,4-dien-1-ol
SMILESCCCC/C(C)=C/C=C(/CO)NC
InChIInChI=1S/C11H21NO/c1-4-5-6-10(2)7-8-11(9-13)12-3/h7-8,12-13H,4-6,9H2,1-3H3/b10-7+,11-8-
InChIKeyQXNSUBJWUXPPRG-WAKDDQPJSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-methyl-2-(methylamino)nona-2,4-dien-1-ol?
The IUPAC name of (2Z,4E)-5-methyl-2-(methylamino)nona-2,4-dien-1-ol (CID 142176183) is (2Z,4E)-5-methyl-2-(methylamino)nona-2,4-dien-1-ol.
What is the SMILES notation for (2Z,4E)-5-methyl-2-(methylamino)nona-2,4-dien-1-ol?
The canonical SMILES for (2Z,4E)-5-methyl-2-(methylamino)nona-2,4-dien-1-ol is CCCC/C(C)=C/C=C(/CO)NC.
What is the InChIKey of (2Z,4E)-5-methyl-2-(methylamino)nona-2,4-dien-1-ol?
The InChIKey is QXNSUBJWUXPPRG-WAKDDQPJSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-6-10(2)7-8-11(9-13)12-3/h7-8,12-13H,4-6,9H2,1-3H3/b10-7+,11-8-.
What are the key properties of (2Z,4E)-5-methyl-2-(methylamino)nona-2,4-dien-1-ol?
(2Z,4E)-5-methyl-2-(methylamino)nona-2,4-dien-1-ol has a molecular weight of 183.29 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-methyl-2-(methylamino)nona-2,4-dien-1-ol is sourced from PubChem (CID 142176183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).