1-ethyl-N-[2-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]oxyprop-2-enyl]piperidin-4-amine

C18H30N2O — CID 143586096

IUPAC1-ethyl-N-[2-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]oxyprop-2-enyl]piperidin-4-amine
SMILESC=C(CNC1CCN(CC)CC1)OC(=C)/C(C)=C/C=C\C
InChIInChI=1S/C18H30N2O/c1-6-8-9-15(3)17(5)21-16(4)14-19-18-10-12-20(7-2)13-11-18/h6,8-9,18-19H,4-5,7,10-14H2,1-3H3/b8-6-,15-9+
InChIKeyWBRDEIAEQRBXNY-ROYGEPAJSA-N
MW290.45 g/mol
LogP3.63
Rot. Bonds8

About 1-ethyl-N-[2-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]oxyprop-2-enyl]piperidin-4-amine

1-ethyl-N-[2-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]oxyprop-2-enyl]piperidin-4-amine (PubChem CID 143586096) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-ethyl-N-[2-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]oxyprop-2-enyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[2-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]oxyprop-2-enyl]piperidin-4-amine
PubChem CID143586096
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-ethyl-N-[2-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]oxyprop-2-enyl]piperidin-4-amine
SMILESC=C(CNC1CCN(CC)CC1)OC(=C)/C(C)=C/C=C\C
InChIInChI=1S/C18H30N2O/c1-6-8-9-15(3)17(5)21-16(4)14-19-18-10-12-20(7-2)13-11-18/h6,8-9,18-19H,4-5,7,10-14H2,1-3H3/b8-6-,15-9+
InChIKeyWBRDEIAEQRBXNY-ROYGEPAJSA-N
XLogP3.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.63
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 1-ethyl-N-[2-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]oxyprop-2-enyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-[2-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]oxyprop-2-enyl]piperidin-4-amine (CID 143586096) is 1-ethyl-N-[2-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]oxyprop-2-enyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-[2-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]oxyprop-2-enyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-[2-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]oxyprop-2-enyl]piperidin-4-amine is C=C(CNC1CCN(CC)CC1)OC(=C)/C(C)=C/C=C\C.
What is the InChIKey of 1-ethyl-N-[2-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]oxyprop-2-enyl]piperidin-4-amine?
The InChIKey is WBRDEIAEQRBXNY-ROYGEPAJSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-8-9-15(3)17(5)21-16(4)14-19-18-10-12-20(7-2)13-11-18/h6,8-9,18-19H,4-5,7,10-14H2,1-3H3/b8-6-,15-9+.
What are the key properties of 1-ethyl-N-[2-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]oxyprop-2-enyl]piperidin-4-amine?
1-ethyl-N-[2-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]oxyprop-2-enyl]piperidin-4-amine has a molecular weight of 290.45 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]oxyprop-2-enyl]piperidin-4-amine is sourced from PubChem (CID 143586096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).