(Z,2S,3E)-3-ethylidene-N,N-diiodohex-4-en-2-amine

C8H13I2N — CID 170210822

IUPAC(Z,2S,3E)-3-ethylidene-N,N-diiodohex-4-en-2-amine
SMILESC/C=C\C(=C/C)[C@H](C)N(I)I
InChIInChI=1S/C8H13I2N/c1-4-6-8(5-2)7(3)11(9)10/h4-7H,1-3H3/b6-4-,8-5+/t7-/m0/s1
InChIKeyOSVRUNJHPXLYCN-QCIZFYSZSA-N
MW377.01 g/mol
LogP3.90
Rot. Bonds3

About (Z,2S,3E)-3-ethylidene-N,N-diiodohex-4-en-2-amine

(Z,2S,3E)-3-ethylidene-N,N-diiodohex-4-en-2-amine (PubChem CID 170210822) has the molecular formula C8H13I2N and a molecular weight of 377.01 g/mol. Its IUPAC name is (Z,2S,3E)-3-ethylidene-N,N-diiodohex-4-en-2-amine.

Molecular Properties

Compound Name(Z,2S,3E)-3-ethylidene-N,N-diiodohex-4-en-2-amine
PubChem CID170210822
Molecular FormulaC8H13I2N
Molecular Weight377.01 g/mol
Exact Mass376.91
IUPAC Name(Z,2S,3E)-3-ethylidene-N,N-diiodohex-4-en-2-amine
SMILESC/C=C\C(=C/C)[C@H](C)N(I)I
InChIInChI=1S/C8H13I2N/c1-4-6-8(5-2)7(3)11(9)10/h4-7H,1-3H3/b6-4-,8-5+/t7-/m0/s1
InChIKeyOSVRUNJHPXLYCN-QCIZFYSZSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.01
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2S,3E)-3-ethylidene-N,N-diiodohex-4-en-2-amine?
The IUPAC name of (Z,2S,3E)-3-ethylidene-N,N-diiodohex-4-en-2-amine (CID 170210822) is (Z,2S,3E)-3-ethylidene-N,N-diiodohex-4-en-2-amine.
What is the SMILES notation for (Z,2S,3E)-3-ethylidene-N,N-diiodohex-4-en-2-amine?
The canonical SMILES for (Z,2S,3E)-3-ethylidene-N,N-diiodohex-4-en-2-amine is C/C=C\C(=C/C)[C@H](C)N(I)I.
What is the InChIKey of (Z,2S,3E)-3-ethylidene-N,N-diiodohex-4-en-2-amine?
The InChIKey is OSVRUNJHPXLYCN-QCIZFYSZSA-N. The full InChI is InChI=1S/C8H13I2N/c1-4-6-8(5-2)7(3)11(9)10/h4-7H,1-3H3/b6-4-,8-5+/t7-/m0/s1.
What are the key properties of (Z,2S,3E)-3-ethylidene-N,N-diiodohex-4-en-2-amine?
(Z,2S,3E)-3-ethylidene-N,N-diiodohex-4-en-2-amine has a molecular weight of 377.01 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,3E)-3-ethylidene-N,N-diiodohex-4-en-2-amine is sourced from PubChem (CID 170210822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).