(Z)-N-[(3Z)-4-iodobuta-1,3-dien-2-yl]-N',N'-dimethylethene-1,2-diamine

C8H13IN2 — CID 134482442

IUPAC(Z)-N-[(3Z)-4-iodobuta-1,3-dien-2-yl]-N',N'-dimethylethene-1,2-diamine
SMILESC=C(/C=C\I)N/C=C\N(C)C
InChIInChI=1S/C8H13IN2/c1-8(4-5-9)10-6-7-11(2)3/h4-7,10H,1H2,2-3H3/b5-4-,7-6-
InChIKeySYCSUQFFHUOXJS-RZSVFLSASA-N
MW264.11 g/mol
LogP2.07
Rot. Bonds4

About (Z)-N-[(3Z)-4-iodobuta-1,3-dien-2-yl]-N',N'-dimethylethene-1,2-diamine

(Z)-N-[(3Z)-4-iodobuta-1,3-dien-2-yl]-N',N'-dimethylethene-1,2-diamine (PubChem CID 134482442) has the molecular formula C8H13IN2 and a molecular weight of 264.11 g/mol. Its IUPAC name is (Z)-N-[(3Z)-4-iodobuta-1,3-dien-2-yl]-N',N'-dimethylethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N-[(3Z)-4-iodobuta-1,3-dien-2-yl]-N',N'-dimethylethene-1,2-diamine
PubChem CID134482442
Molecular FormulaC8H13IN2
Molecular Weight264.11 g/mol
Exact Mass264.01
IUPAC Name(Z)-N-[(3Z)-4-iodobuta-1,3-dien-2-yl]-N',N'-dimethylethene-1,2-diamine
SMILESC=C(/C=C\I)N/C=C\N(C)C
InChIInChI=1S/C8H13IN2/c1-8(4-5-9)10-6-7-11(2)3/h4-7,10H,1H2,2-3H3/b5-4-,7-6-
InChIKeySYCSUQFFHUOXJS-RZSVFLSASA-N
XLogP2.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3Z)-4-iodobuta-1,3-dien-2-yl]-N',N'-dimethylethene-1,2-diamine?
The IUPAC name of (Z)-N-[(3Z)-4-iodobuta-1,3-dien-2-yl]-N',N'-dimethylethene-1,2-diamine (CID 134482442) is (Z)-N-[(3Z)-4-iodobuta-1,3-dien-2-yl]-N',N'-dimethylethene-1,2-diamine.
What is the SMILES notation for (Z)-N-[(3Z)-4-iodobuta-1,3-dien-2-yl]-N',N'-dimethylethene-1,2-diamine?
The canonical SMILES for (Z)-N-[(3Z)-4-iodobuta-1,3-dien-2-yl]-N',N'-dimethylethene-1,2-diamine is C=C(/C=C\I)N/C=C\N(C)C.
What is the InChIKey of (Z)-N-[(3Z)-4-iodobuta-1,3-dien-2-yl]-N',N'-dimethylethene-1,2-diamine?
The InChIKey is SYCSUQFFHUOXJS-RZSVFLSASA-N. The full InChI is InChI=1S/C8H13IN2/c1-8(4-5-9)10-6-7-11(2)3/h4-7,10H,1H2,2-3H3/b5-4-,7-6-.
What are the key properties of (Z)-N-[(3Z)-4-iodobuta-1,3-dien-2-yl]-N',N'-dimethylethene-1,2-diamine?
(Z)-N-[(3Z)-4-iodobuta-1,3-dien-2-yl]-N',N'-dimethylethene-1,2-diamine has a molecular weight of 264.11 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3Z)-4-iodobuta-1,3-dien-2-yl]-N',N'-dimethylethene-1,2-diamine is sourced from PubChem (CID 134482442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).