N-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1-methylpiperidin-4-amine

C14H24N2 — CID 143603230

IUPACN-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1-methylpiperidin-4-amine
SMILESC=C/C=C\C(=C)N(CC)C1CCN(C)CC1
InChIInChI=1S/C14H24N2/c1-5-7-8-13(3)16(6-2)14-9-11-15(4)12-10-14/h5,7-8,14H,1,3,6,9-12H2,2,4H3/b8-7-
InChIKeyXVIYSMDILXSKNZ-FPLPWBNLSA-N
MW220.36 g/mol
LogP2.66
Rot. Bonds5

About N-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1-methylpiperidin-4-amine

N-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1-methylpiperidin-4-amine (PubChem CID 143603230) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1-methylpiperidin-4-amine
PubChem CID143603230
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1-methylpiperidin-4-amine
SMILESC=C/C=C\C(=C)N(CC)C1CCN(C)CC1
InChIInChI=1S/C14H24N2/c1-5-7-8-13(3)16(6-2)14-9-11-15(4)12-10-14/h5,7-8,14H,1,3,6,9-12H2,2,4H3/b8-7-
InChIKeyXVIYSMDILXSKNZ-FPLPWBNLSA-N
XLogP2.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1-methylpiperidin-4-amine?
The IUPAC name of N-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1-methylpiperidin-4-amine (CID 143603230) is N-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1-methylpiperidin-4-amine is C=C/C=C\C(=C)N(CC)C1CCN(C)CC1.
What is the InChIKey of N-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1-methylpiperidin-4-amine?
The InChIKey is XVIYSMDILXSKNZ-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-7-8-13(3)16(6-2)14-9-11-15(4)12-10-14/h5,7-8,14H,1,3,6,9-12H2,2,4H3/b8-7-.
What are the key properties of N-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1-methylpiperidin-4-amine?
N-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1-methylpiperidin-4-amine has a molecular weight of 220.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 143603230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).