(Z,1Z)-5-iodo-1-(2-methylidenepiperidin-3-ylidene)pent-2-en-3-amine

C11H17IN2 — CID 89231531

IUPAC(Z,1Z)-5-iodo-1-(2-methylidenepiperidin-3-ylidene)pent-2-en-3-amine
SMILESC=C1NCCC/C1=C/C=C(\N)CCI
InChIInChI=1S/C11H17IN2/c1-9-10(3-2-8-14-9)4-5-11(13)6-7-12/h4-5,14H,1-3,6-8,13H2/b10-4-,11-5-
InChIKeyYDJKIZNXMBVZBB-GGXLTUIBSA-N
MW304.18 g/mol
LogP2.48
Rot. Bonds3

About (Z,1Z)-5-iodo-1-(2-methylidenepiperidin-3-ylidene)pent-2-en-3-amine

(Z,1Z)-5-iodo-1-(2-methylidenepiperidin-3-ylidene)pent-2-en-3-amine (PubChem CID 89231531) has the molecular formula C11H17IN2 and a molecular weight of 304.18 g/mol. Its IUPAC name is (Z,1Z)-5-iodo-1-(2-methylidenepiperidin-3-ylidene)pent-2-en-3-amine.

Molecular Properties

Compound Name(Z,1Z)-5-iodo-1-(2-methylidenepiperidin-3-ylidene)pent-2-en-3-amine
PubChem CID89231531
Molecular FormulaC11H17IN2
Molecular Weight304.18 g/mol
Exact Mass304.04
IUPAC Name(Z,1Z)-5-iodo-1-(2-methylidenepiperidin-3-ylidene)pent-2-en-3-amine
SMILESC=C1NCCC/C1=C/C=C(\N)CCI
InChIInChI=1S/C11H17IN2/c1-9-10(3-2-8-14-9)4-5-11(13)6-7-12/h4-5,14H,1-3,6-8,13H2/b10-4-,11-5-
InChIKeyYDJKIZNXMBVZBB-GGXLTUIBSA-N
XLogP2.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,1Z)-5-iodo-1-(2-methylidenepiperidin-3-ylidene)pent-2-en-3-amine?
The IUPAC name of (Z,1Z)-5-iodo-1-(2-methylidenepiperidin-3-ylidene)pent-2-en-3-amine (CID 89231531) is (Z,1Z)-5-iodo-1-(2-methylidenepiperidin-3-ylidene)pent-2-en-3-amine.
What is the SMILES notation for (Z,1Z)-5-iodo-1-(2-methylidenepiperidin-3-ylidene)pent-2-en-3-amine?
The canonical SMILES for (Z,1Z)-5-iodo-1-(2-methylidenepiperidin-3-ylidene)pent-2-en-3-amine is C=C1NCCC/C1=C/C=C(\N)CCI.
What is the InChIKey of (Z,1Z)-5-iodo-1-(2-methylidenepiperidin-3-ylidene)pent-2-en-3-amine?
The InChIKey is YDJKIZNXMBVZBB-GGXLTUIBSA-N. The full InChI is InChI=1S/C11H17IN2/c1-9-10(3-2-8-14-9)4-5-11(13)6-7-12/h4-5,14H,1-3,6-8,13H2/b10-4-,11-5-.
What are the key properties of (Z,1Z)-5-iodo-1-(2-methylidenepiperidin-3-ylidene)pent-2-en-3-amine?
(Z,1Z)-5-iodo-1-(2-methylidenepiperidin-3-ylidene)pent-2-en-3-amine has a molecular weight of 304.18 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1Z)-5-iodo-1-(2-methylidenepiperidin-3-ylidene)pent-2-en-3-amine is sourced from PubChem (CID 89231531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).