(Z,5E)-5-ethylidene-N,N,2,6,7,8-hexamethylnon-3-en-2-amine

C17H33N — CID 167013475

IUPAC(Z,5E)-5-ethylidene-N,N,2,6,7,8-hexamethylnon-3-en-2-amine
SMILESC/C=C(\C=C/C(C)(C)N(C)C)C(C)C(C)C(C)C
InChIInChI=1S/C17H33N/c1-10-16(15(5)14(4)13(2)3)11-12-17(6,7)18(8)9/h10-15H,1-9H3/b12-11-,16-10+
InChIKeyZYBGTEQGRWPEBD-GZQRZBQGSA-N
MW251.46 g/mol
LogP4.76
Rot. Bonds6

About (Z,5E)-5-ethylidene-N,N,2,6,7,8-hexamethylnon-3-en-2-amine

(Z,5E)-5-ethylidene-N,N,2,6,7,8-hexamethylnon-3-en-2-amine (PubChem CID 167013475) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is (Z,5E)-5-ethylidene-N,N,2,6,7,8-hexamethylnon-3-en-2-amine.

Molecular Properties

Compound Name(Z,5E)-5-ethylidene-N,N,2,6,7,8-hexamethylnon-3-en-2-amine
PubChem CID167013475
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name(Z,5E)-5-ethylidene-N,N,2,6,7,8-hexamethylnon-3-en-2-amine
SMILESC/C=C(\C=C/C(C)(C)N(C)C)C(C)C(C)C(C)C
InChIInChI=1S/C17H33N/c1-10-16(15(5)14(4)13(2)3)11-12-17(6,7)18(8)9/h10-15H,1-9H3/b12-11-,16-10+
InChIKeyZYBGTEQGRWPEBD-GZQRZBQGSA-N
XLogP4.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,5E)-5-ethylidene-N,N,2,6,7,8-hexamethylnon-3-en-2-amine?
The IUPAC name of (Z,5E)-5-ethylidene-N,N,2,6,7,8-hexamethylnon-3-en-2-amine (CID 167013475) is (Z,5E)-5-ethylidene-N,N,2,6,7,8-hexamethylnon-3-en-2-amine.
What is the SMILES notation for (Z,5E)-5-ethylidene-N,N,2,6,7,8-hexamethylnon-3-en-2-amine?
The canonical SMILES for (Z,5E)-5-ethylidene-N,N,2,6,7,8-hexamethylnon-3-en-2-amine is C/C=C(\C=C/C(C)(C)N(C)C)C(C)C(C)C(C)C.
What is the InChIKey of (Z,5E)-5-ethylidene-N,N,2,6,7,8-hexamethylnon-3-en-2-amine?
The InChIKey is ZYBGTEQGRWPEBD-GZQRZBQGSA-N. The full InChI is InChI=1S/C17H33N/c1-10-16(15(5)14(4)13(2)3)11-12-17(6,7)18(8)9/h10-15H,1-9H3/b12-11-,16-10+.
What are the key properties of (Z,5E)-5-ethylidene-N,N,2,6,7,8-hexamethylnon-3-en-2-amine?
(Z,5E)-5-ethylidene-N,N,2,6,7,8-hexamethylnon-3-en-2-amine has a molecular weight of 251.46 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5E)-5-ethylidene-N,N,2,6,7,8-hexamethylnon-3-en-2-amine is sourced from PubChem (CID 167013475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).