(4Z,6E,8Z)-6-(2-aminoethoxy)-N-methyl-N-[(Z)-2-methylbut-1-enyl]deca-4,6,8-trien-5-amine

C18H32N2O — CID 174001074

IUPAC(4Z,6E,8Z)-6-(2-aminoethoxy)-N-methyl-N-[(Z)-2-methylbut-1-enyl]deca-4,6,8-trien-5-amine
SMILESC/C=C\C=C(OCCN)/C(=C/CCC)N(C)/C=C(/C)CC
InChIInChI=1S/C18H32N2O/c1-6-9-11-17(20(5)15-16(4)8-3)18(12-10-7-2)21-14-13-19/h7,10-12,15H,6,8-9,13-14,19H2,1-5H3/b10-7-,16-15-,17-11-,18-12+
InChIKeySXGGVNZGOSBMNS-JWCNFERYSA-N
MW292.47 g/mol
LogP4.35
Rot. Bonds10

About (4Z,6E,8Z)-6-(2-aminoethoxy)-N-methyl-N-[(Z)-2-methylbut-1-enyl]deca-4,6,8-trien-5-amine

(4Z,6E,8Z)-6-(2-aminoethoxy)-N-methyl-N-[(Z)-2-methylbut-1-enyl]deca-4,6,8-trien-5-amine (PubChem CID 174001074) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is (4Z,6E,8Z)-6-(2-aminoethoxy)-N-methyl-N-[(Z)-2-methylbut-1-enyl]deca-4,6,8-trien-5-amine.

Molecular Properties

Compound Name(4Z,6E,8Z)-6-(2-aminoethoxy)-N-methyl-N-[(Z)-2-methylbut-1-enyl]deca-4,6,8-trien-5-amine
PubChem CID174001074
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name(4Z,6E,8Z)-6-(2-aminoethoxy)-N-methyl-N-[(Z)-2-methylbut-1-enyl]deca-4,6,8-trien-5-amine
SMILESC/C=C\C=C(OCCN)/C(=C/CCC)N(C)/C=C(/C)CC
InChIInChI=1S/C18H32N2O/c1-6-9-11-17(20(5)15-16(4)8-3)18(12-10-7-2)21-14-13-19/h7,10-12,15H,6,8-9,13-14,19H2,1-5H3/b10-7-,16-15-,17-11-,18-12+
InChIKeySXGGVNZGOSBMNS-JWCNFERYSA-N
XLogP4.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (4Z,6E,8Z)-6-(2-aminoethoxy)-N-methyl-N-[(Z)-2-methylbut-1-enyl]deca-4,6,8-trien-5-amine?
The IUPAC name of (4Z,6E,8Z)-6-(2-aminoethoxy)-N-methyl-N-[(Z)-2-methylbut-1-enyl]deca-4,6,8-trien-5-amine (CID 174001074) is (4Z,6E,8Z)-6-(2-aminoethoxy)-N-methyl-N-[(Z)-2-methylbut-1-enyl]deca-4,6,8-trien-5-amine.
What is the SMILES notation for (4Z,6E,8Z)-6-(2-aminoethoxy)-N-methyl-N-[(Z)-2-methylbut-1-enyl]deca-4,6,8-trien-5-amine?
The canonical SMILES for (4Z,6E,8Z)-6-(2-aminoethoxy)-N-methyl-N-[(Z)-2-methylbut-1-enyl]deca-4,6,8-trien-5-amine is C/C=C\C=C(OCCN)/C(=C/CCC)N(C)/C=C(/C)CC.
What is the InChIKey of (4Z,6E,8Z)-6-(2-aminoethoxy)-N-methyl-N-[(Z)-2-methylbut-1-enyl]deca-4,6,8-trien-5-amine?
The InChIKey is SXGGVNZGOSBMNS-JWCNFERYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-9-11-17(20(5)15-16(4)8-3)18(12-10-7-2)21-14-13-19/h7,10-12,15H,6,8-9,13-14,19H2,1-5H3/b10-7-,16-15-,17-11-,18-12+.
What are the key properties of (4Z,6E,8Z)-6-(2-aminoethoxy)-N-methyl-N-[(Z)-2-methylbut-1-enyl]deca-4,6,8-trien-5-amine?
(4Z,6E,8Z)-6-(2-aminoethoxy)-N-methyl-N-[(Z)-2-methylbut-1-enyl]deca-4,6,8-trien-5-amine has a molecular weight of 292.47 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E,8Z)-6-(2-aminoethoxy)-N-methyl-N-[(Z)-2-methylbut-1-enyl]deca-4,6,8-trien-5-amine is sourced from PubChem (CID 174001074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).