(1E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,6-dimethylhepta-1,5-dien-1-amine

C18H34N2 — CID 3006131

IUPAC(1E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,6-dimethylhepta-1,5-dien-1-amine
SMILESCCC1CCCCN1CCN/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H34N2/c1-5-18-11-6-7-13-20(18)14-12-19-15-17(4)10-8-9-16(2)3/h9,15,18-19H,5-8,10-14H2,1-4H3/b17-15+
InChIKeyAJLAGTRJGDZCPN-BMRADRMJSA-N
MW278.48 g/mol
LogP4.49
Rot. Bonds8

About (1E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,6-dimethylhepta-1,5-dien-1-amine

(1E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,6-dimethylhepta-1,5-dien-1-amine (PubChem CID 3006131) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is (1E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,6-dimethylhepta-1,5-dien-1-amine.

Molecular Properties

Compound Name(1E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,6-dimethylhepta-1,5-dien-1-amine
PubChem CID3006131
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name(1E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,6-dimethylhepta-1,5-dien-1-amine
SMILESCCC1CCCCN1CCN/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H34N2/c1-5-18-11-6-7-13-20(18)14-12-19-15-17(4)10-8-9-16(2)3/h9,15,18-19H,5-8,10-14H2,1-4H3/b17-15+
InChIKeyAJLAGTRJGDZCPN-BMRADRMJSA-N
XLogP4.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,6-dimethylhepta-1,5-dien-1-amine?
The IUPAC name of (1E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,6-dimethylhepta-1,5-dien-1-amine (CID 3006131) is (1E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,6-dimethylhepta-1,5-dien-1-amine.
What is the SMILES notation for (1E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,6-dimethylhepta-1,5-dien-1-amine?
The canonical SMILES for (1E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,6-dimethylhepta-1,5-dien-1-amine is CCC1CCCCN1CCN/C=C(\C)CCC=C(C)C.
What is the InChIKey of (1E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,6-dimethylhepta-1,5-dien-1-amine?
The InChIKey is AJLAGTRJGDZCPN-BMRADRMJSA-N. The full InChI is InChI=1S/C18H34N2/c1-5-18-11-6-7-13-20(18)14-12-19-15-17(4)10-8-9-16(2)3/h9,15,18-19H,5-8,10-14H2,1-4H3/b17-15+.
What are the key properties of (1E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,6-dimethylhepta-1,5-dien-1-amine?
(1E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,6-dimethylhepta-1,5-dien-1-amine has a molecular weight of 278.48 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,6-dimethylhepta-1,5-dien-1-amine is sourced from PubChem (CID 3006131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).