N-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-amine

C16H28N2 — CID 142256444

IUPACN-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-amine
SMILESC=C/C=C\C=C(/C)CCN1CCC(NCC)CC1
InChIInChI=1S/C16H28N2/c1-4-6-7-8-15(3)9-12-18-13-10-16(11-14-18)17-5-2/h4,6-8,16-17H,1,5,9-14H2,2-3H3/b7-6-,15-8+
InChIKeyKXDXSZJYCKXUTO-WLYYOSHGSA-N
MW248.41 g/mol
LogP3.14
Rot. Bonds7

About N-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-amine

N-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-amine (PubChem CID 142256444) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-amine
PubChem CID142256444
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-amine
SMILESC=C/C=C\C=C(/C)CCN1CCC(NCC)CC1
InChIInChI=1S/C16H28N2/c1-4-6-7-8-15(3)9-12-18-13-10-16(11-14-18)17-5-2/h4,6-8,16-17H,1,5,9-14H2,2-3H3/b7-6-,15-8+
InChIKeyKXDXSZJYCKXUTO-WLYYOSHGSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
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-1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-amine?
The IUPAC name of N-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-amine (CID 142256444) is N-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-amine.
What is the SMILES notation for N-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-amine?
The canonical SMILES for N-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-amine is C=C/C=C\C=C(/C)CCN1CCC(NCC)CC1.
What is the InChIKey of N-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-amine?
The InChIKey is KXDXSZJYCKXUTO-WLYYOSHGSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-6-7-8-15(3)9-12-18-13-10-16(11-14-18)17-5-2/h4,6-8,16-17H,1,5,9-14H2,2-3H3/b7-6-,15-8+.
What are the key properties of N-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-amine?
N-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-amine has a molecular weight of 248.41 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-amine is sourced from PubChem (CID 142256444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).