(E)-5-[(E)-2-ethylpent-2-enoxy]-3,7-dimethyl-2-methylideneoct-5-en-1-amine

C18H33NO — CID 89244778

IUPAC(E)-5-[(E)-2-ethylpent-2-enoxy]-3,7-dimethyl-2-methylideneoct-5-en-1-amine
SMILESC=C(CN)C(C)C/C(=C\C(C)C)OC/C(=C/CC)CC
InChIInChI=1S/C18H33NO/c1-7-9-17(8-2)13-20-18(10-14(3)4)11-15(5)16(6)12-19/h9-10,14-15H,6-8,11-13,19H2,1-5H3/b17-9+,18-10+
InChIKeyXAFOGHUMFBNFCT-BEQMOXJMSA-N
MW279.47 g/mol
LogP4.83
Rot. Bonds10

About (E)-5-[(E)-2-ethylpent-2-enoxy]-3,7-dimethyl-2-methylideneoct-5-en-1-amine

(E)-5-[(E)-2-ethylpent-2-enoxy]-3,7-dimethyl-2-methylideneoct-5-en-1-amine (PubChem CID 89244778) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is (E)-5-[(E)-2-ethylpent-2-enoxy]-3,7-dimethyl-2-methylideneoct-5-en-1-amine.

Molecular Properties

Compound Name(E)-5-[(E)-2-ethylpent-2-enoxy]-3,7-dimethyl-2-methylideneoct-5-en-1-amine
PubChem CID89244778
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name(E)-5-[(E)-2-ethylpent-2-enoxy]-3,7-dimethyl-2-methylideneoct-5-en-1-amine
SMILESC=C(CN)C(C)C/C(=C\C(C)C)OC/C(=C/CC)CC
InChIInChI=1S/C18H33NO/c1-7-9-17(8-2)13-20-18(10-14(3)4)11-15(5)16(6)12-19/h9-10,14-15H,6-8,11-13,19H2,1-5H3/b17-9+,18-10+
InChIKeyXAFOGHUMFBNFCT-BEQMOXJMSA-N
XLogP4.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-[(E)-2-ethylpent-2-enoxy]-3,7-dimethyl-2-methylideneoct-5-en-1-amine?
The IUPAC name of (E)-5-[(E)-2-ethylpent-2-enoxy]-3,7-dimethyl-2-methylideneoct-5-en-1-amine (CID 89244778) is (E)-5-[(E)-2-ethylpent-2-enoxy]-3,7-dimethyl-2-methylideneoct-5-en-1-amine.
What is the SMILES notation for (E)-5-[(E)-2-ethylpent-2-enoxy]-3,7-dimethyl-2-methylideneoct-5-en-1-amine?
The canonical SMILES for (E)-5-[(E)-2-ethylpent-2-enoxy]-3,7-dimethyl-2-methylideneoct-5-en-1-amine is C=C(CN)C(C)C/C(=C\C(C)C)OC/C(=C/CC)CC.
What is the InChIKey of (E)-5-[(E)-2-ethylpent-2-enoxy]-3,7-dimethyl-2-methylideneoct-5-en-1-amine?
The InChIKey is XAFOGHUMFBNFCT-BEQMOXJMSA-N. The full InChI is InChI=1S/C18H33NO/c1-7-9-17(8-2)13-20-18(10-14(3)4)11-15(5)16(6)12-19/h9-10,14-15H,6-8,11-13,19H2,1-5H3/b17-9+,18-10+.
What are the key properties of (E)-5-[(E)-2-ethylpent-2-enoxy]-3,7-dimethyl-2-methylideneoct-5-en-1-amine?
(E)-5-[(E)-2-ethylpent-2-enoxy]-3,7-dimethyl-2-methylideneoct-5-en-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[(E)-2-ethylpent-2-enoxy]-3,7-dimethyl-2-methylideneoct-5-en-1-amine is sourced from PubChem (CID 89244778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).