(E)-N-pentyl-6-(4-piperidin-1-ylcyclohexen-1-yl)hex-3-en-3-amine

C22H40N2 — CID 71034548

IUPAC(E)-N-pentyl-6-(4-piperidin-1-ylcyclohexen-1-yl)hex-3-en-3-amine
SMILESCCCCCN/C(=C/CCC1=CCC(N2CCCCC2)CC1)CC
InChIInChI=1S/C22H40N2/c1-3-5-7-17-23-21(4-2)12-10-11-20-13-15-22(16-14-20)24-18-8-6-9-19-24/h12-13,22-23H,3-11,14-19H2,1-2H3/b21-12+
InChIKeyHEUCQQPRSJLNOP-CIAFOILYSA-N
MW332.58 g/mol
LogP5.81
Rot. Bonds10

About (E)-N-pentyl-6-(4-piperidin-1-ylcyclohexen-1-yl)hex-3-en-3-amine

(E)-N-pentyl-6-(4-piperidin-1-ylcyclohexen-1-yl)hex-3-en-3-amine (PubChem CID 71034548) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is (E)-N-pentyl-6-(4-piperidin-1-ylcyclohexen-1-yl)hex-3-en-3-amine.

Molecular Properties

Compound Name(E)-N-pentyl-6-(4-piperidin-1-ylcyclohexen-1-yl)hex-3-en-3-amine
PubChem CID71034548
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name(E)-N-pentyl-6-(4-piperidin-1-ylcyclohexen-1-yl)hex-3-en-3-amine
SMILESCCCCCN/C(=C/CCC1=CCC(N2CCCCC2)CC1)CC
InChIInChI=1S/C22H40N2/c1-3-5-7-17-23-21(4-2)12-10-11-20-13-15-22(16-14-20)24-18-8-6-9-19-24/h12-13,22-23H,3-11,14-19H2,1-2H3/b21-12+
InChIKeyHEUCQQPRSJLNOP-CIAFOILYSA-N
XLogP5.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 55.81
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 (E)-N-pentyl-6-(4-piperidin-1-ylcyclohexen-1-yl)hex-3-en-3-amine?
The IUPAC name of (E)-N-pentyl-6-(4-piperidin-1-ylcyclohexen-1-yl)hex-3-en-3-amine (CID 71034548) is (E)-N-pentyl-6-(4-piperidin-1-ylcyclohexen-1-yl)hex-3-en-3-amine.
What is the SMILES notation for (E)-N-pentyl-6-(4-piperidin-1-ylcyclohexen-1-yl)hex-3-en-3-amine?
The canonical SMILES for (E)-N-pentyl-6-(4-piperidin-1-ylcyclohexen-1-yl)hex-3-en-3-amine is CCCCCN/C(=C/CCC1=CCC(N2CCCCC2)CC1)CC.
What is the InChIKey of (E)-N-pentyl-6-(4-piperidin-1-ylcyclohexen-1-yl)hex-3-en-3-amine?
The InChIKey is HEUCQQPRSJLNOP-CIAFOILYSA-N. The full InChI is InChI=1S/C22H40N2/c1-3-5-7-17-23-21(4-2)12-10-11-20-13-15-22(16-14-20)24-18-8-6-9-19-24/h12-13,22-23H,3-11,14-19H2,1-2H3/b21-12+.
What are the key properties of (E)-N-pentyl-6-(4-piperidin-1-ylcyclohexen-1-yl)hex-3-en-3-amine?
(E)-N-pentyl-6-(4-piperidin-1-ylcyclohexen-1-yl)hex-3-en-3-amine has a molecular weight of 332.58 g/mol, XLogP of 5.81, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-pentyl-6-(4-piperidin-1-ylcyclohexen-1-yl)hex-3-en-3-amine is sourced from PubChem (CID 71034548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).