(3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine

C15H25NO — CID 89283347

IUPAC(3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine
SMILESC=C(/C=C(\C)[C@H](CC(=C)C(=C)C)N(C)C)OC
InChIInChI=1S/C15H25NO/c1-11(2)12(3)10-15(16(6)7)13(4)9-14(5)17-8/h9,15H,1,3,5,10H2,2,4,6-8H3/b13-9+/t15-/m0/s1
InChIKeyNVOSRLYOQNDGHK-GLNPCMGASA-N
MW235.37 g/mol
LogP3.55
Rot. Bonds7

About (3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine

(3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine (PubChem CID 89283347) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine.

Molecular Properties

Compound Name(3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine
PubChem CID89283347
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine
SMILESC=C(/C=C(\C)[C@H](CC(=C)C(=C)C)N(C)C)OC
InChIInChI=1S/C15H25NO/c1-11(2)12(3)10-15(16(6)7)13(4)9-14(5)17-8/h9,15H,1,3,5,10H2,2,4,6-8H3/b13-9+/t15-/m0/s1
InChIKeyNVOSRLYOQNDGHK-GLNPCMGASA-N
XLogP3.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine?
The IUPAC name of (3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine (CID 89283347) is (3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine.
What is the SMILES notation for (3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine?
The canonical SMILES for (3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine is C=C(/C=C(\C)[C@H](CC(=C)C(=C)C)N(C)C)OC.
What is the InChIKey of (3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine?
The InChIKey is NVOSRLYOQNDGHK-GLNPCMGASA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)12(3)10-15(16(6)7)13(4)9-14(5)17-8/h9,15H,1,3,5,10H2,2,4,6-8H3/b13-9+/t15-/m0/s1.
What are the key properties of (3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine?
(3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine has a molecular weight of 235.37 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine is sourced from PubChem (CID 89283347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).