(E)-N-[(E)-hex-2-en-2-yl]-3-(4-methylpiperidin-1-yl)but-2-enimidoyl chloride

C16H27ClN2 — CID 167214343

IUPAC(E)-N-[(E)-hex-2-en-2-yl]-3-(4-methylpiperidin-1-yl)but-2-enimidoyl chloride
SMILESCCC/C=C(C)/N=C(Cl)/C=C(\C)N1CCC(C)CC1
InChIInChI=1S/C16H27ClN2/c1-5-6-7-14(3)18-16(17)12-15(4)19-10-8-13(2)9-11-19/h7,12-13H,5-6,8-11H2,1-4H3/b14-7+,15-12+,18-16-
InChIKeySSPQYPZBXWILMN-KFKKDCGBSA-N
MW282.86 g/mol
LogP4.96
Rot. Bonds5

About (E)-N-[(E)-hex-2-en-2-yl]-3-(4-methylpiperidin-1-yl)but-2-enimidoyl chloride

(E)-N-[(E)-hex-2-en-2-yl]-3-(4-methylpiperidin-1-yl)but-2-enimidoyl chloride (PubChem CID 167214343) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is (E)-N-[(E)-hex-2-en-2-yl]-3-(4-methylpiperidin-1-yl)but-2-enimidoyl chloride.

Molecular Properties

Compound Name(E)-N-[(E)-hex-2-en-2-yl]-3-(4-methylpiperidin-1-yl)but-2-enimidoyl chloride
PubChem CID167214343
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name(E)-N-[(E)-hex-2-en-2-yl]-3-(4-methylpiperidin-1-yl)but-2-enimidoyl chloride
SMILESCCC/C=C(C)/N=C(Cl)/C=C(\C)N1CCC(C)CC1
InChIInChI=1S/C16H27ClN2/c1-5-6-7-14(3)18-16(17)12-15(4)19-10-8-13(2)9-11-19/h7,12-13H,5-6,8-11H2,1-4H3/b14-7+,15-12+,18-16-
InChIKeySSPQYPZBXWILMN-KFKKDCGBSA-N
XLogP4.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-hex-2-en-2-yl]-3-(4-methylpiperidin-1-yl)but-2-enimidoyl chloride?
The IUPAC name of (E)-N-[(E)-hex-2-en-2-yl]-3-(4-methylpiperidin-1-yl)but-2-enimidoyl chloride (CID 167214343) is (E)-N-[(E)-hex-2-en-2-yl]-3-(4-methylpiperidin-1-yl)but-2-enimidoyl chloride.
What is the SMILES notation for (E)-N-[(E)-hex-2-en-2-yl]-3-(4-methylpiperidin-1-yl)but-2-enimidoyl chloride?
The canonical SMILES for (E)-N-[(E)-hex-2-en-2-yl]-3-(4-methylpiperidin-1-yl)but-2-enimidoyl chloride is CCC/C=C(C)/N=C(Cl)/C=C(\C)N1CCC(C)CC1.
What is the InChIKey of (E)-N-[(E)-hex-2-en-2-yl]-3-(4-methylpiperidin-1-yl)but-2-enimidoyl chloride?
The InChIKey is SSPQYPZBXWILMN-KFKKDCGBSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-5-6-7-14(3)18-16(17)12-15(4)19-10-8-13(2)9-11-19/h7,12-13H,5-6,8-11H2,1-4H3/b14-7+,15-12+,18-16-.
What are the key properties of (E)-N-[(E)-hex-2-en-2-yl]-3-(4-methylpiperidin-1-yl)but-2-enimidoyl chloride?
(E)-N-[(E)-hex-2-en-2-yl]-3-(4-methylpiperidin-1-yl)but-2-enimidoyl chloride has a molecular weight of 282.86 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-hex-2-en-2-yl]-3-(4-methylpiperidin-1-yl)but-2-enimidoyl chloride is sourced from PubChem (CID 167214343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).