(E,4E)-4-(1-chloroprop-2-enylidene)-3-ethyl-6-methoxy-N-methyloct-5-en-1-amine

C15H26ClNO — CID 134301556

IUPAC(E,4E)-4-(1-chloroprop-2-enylidene)-3-ethyl-6-methoxy-N-methyloct-5-en-1-amine
SMILESC=C/C(Cl)=C(\C=C(/CC)OC)C(CC)CCNC
InChIInChI=1S/C15H26ClNO/c1-6-12(9-10-17-4)14(15(16)8-3)11-13(7-2)18-5/h8,11-12,17H,3,6-7,9-10H2,1-2,4-5H3/b13-11+,15-14-
InChIKeyYJRRHAHLXBJICN-RZVDUMMSSA-N
MW271.83 g/mol
LogP4.24
Rot. Bonds9

About (E,4E)-4-(1-chloroprop-2-enylidene)-3-ethyl-6-methoxy-N-methyloct-5-en-1-amine

(E,4E)-4-(1-chloroprop-2-enylidene)-3-ethyl-6-methoxy-N-methyloct-5-en-1-amine (PubChem CID 134301556) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is (E,4E)-4-(1-chloroprop-2-enylidene)-3-ethyl-6-methoxy-N-methyloct-5-en-1-amine.

Molecular Properties

Compound Name(E,4E)-4-(1-chloroprop-2-enylidene)-3-ethyl-6-methoxy-N-methyloct-5-en-1-amine
PubChem CID134301556
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name(E,4E)-4-(1-chloroprop-2-enylidene)-3-ethyl-6-methoxy-N-methyloct-5-en-1-amine
SMILESC=C/C(Cl)=C(\C=C(/CC)OC)C(CC)CCNC
InChIInChI=1S/C15H26ClNO/c1-6-12(9-10-17-4)14(15(16)8-3)11-13(7-2)18-5/h8,11-12,17H,3,6-7,9-10H2,1-2,4-5H3/b13-11+,15-14-
InChIKeyYJRRHAHLXBJICN-RZVDUMMSSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 54.24
H-Bond Donors ≤ 51
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 (E,4E)-4-(1-chloroprop-2-enylidene)-3-ethyl-6-methoxy-N-methyloct-5-en-1-amine?
The IUPAC name of (E,4E)-4-(1-chloroprop-2-enylidene)-3-ethyl-6-methoxy-N-methyloct-5-en-1-amine (CID 134301556) is (E,4E)-4-(1-chloroprop-2-enylidene)-3-ethyl-6-methoxy-N-methyloct-5-en-1-amine.
What is the SMILES notation for (E,4E)-4-(1-chloroprop-2-enylidene)-3-ethyl-6-methoxy-N-methyloct-5-en-1-amine?
The canonical SMILES for (E,4E)-4-(1-chloroprop-2-enylidene)-3-ethyl-6-methoxy-N-methyloct-5-en-1-amine is C=C/C(Cl)=C(\C=C(/CC)OC)C(CC)CCNC.
What is the InChIKey of (E,4E)-4-(1-chloroprop-2-enylidene)-3-ethyl-6-methoxy-N-methyloct-5-en-1-amine?
The InChIKey is YJRRHAHLXBJICN-RZVDUMMSSA-N. The full InChI is InChI=1S/C15H26ClNO/c1-6-12(9-10-17-4)14(15(16)8-3)11-13(7-2)18-5/h8,11-12,17H,3,6-7,9-10H2,1-2,4-5H3/b13-11+,15-14-.
What are the key properties of (E,4E)-4-(1-chloroprop-2-enylidene)-3-ethyl-6-methoxy-N-methyloct-5-en-1-amine?
(E,4E)-4-(1-chloroprop-2-enylidene)-3-ethyl-6-methoxy-N-methyloct-5-en-1-amine has a molecular weight of 271.83 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4E)-4-(1-chloroprop-2-enylidene)-3-ethyl-6-methoxy-N-methyloct-5-en-1-amine is sourced from PubChem (CID 134301556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).