1-N-[(Z)-2-iodoethenyl]-3,3-dimethylbutane-1,2-diimine

C8H13IN2 — CID 89029602

IUPAC1-N-[(Z)-2-iodoethenyl]-3,3-dimethylbutane-1,2-diimine
SMILES[H]/N=C(\C=N\C=C/I)C(C)(C)C
InChIInChI=1S/C8H13IN2/c1-8(2,3)7(10)6-11-5-4-9/h4-6,10H,1-3H3/b5-4-,10-7+,11-6+
InChIKeyVPIDAVOQDPICKF-AEILHZCFSA-N
MW264.11 g/mol
LogP3.03
Rot. Bonds2

About 1-N-[(Z)-2-iodoethenyl]-3,3-dimethylbutane-1,2-diimine

1-N-[(Z)-2-iodoethenyl]-3,3-dimethylbutane-1,2-diimine (PubChem CID 89029602) has the molecular formula C8H13IN2 and a molecular weight of 264.11 g/mol. Its IUPAC name is 1-N-[(Z)-2-iodoethenyl]-3,3-dimethylbutane-1,2-diimine.

Molecular Properties

Compound Name1-N-[(Z)-2-iodoethenyl]-3,3-dimethylbutane-1,2-diimine
PubChem CID89029602
Molecular FormulaC8H13IN2
Molecular Weight264.11 g/mol
Exact Mass264.01
IUPAC Name1-N-[(Z)-2-iodoethenyl]-3,3-dimethylbutane-1,2-diimine
SMILES[H]/N=C(\C=N\C=C/I)C(C)(C)C
InChIInChI=1S/C8H13IN2/c1-8(2,3)7(10)6-11-5-4-9/h4-6,10H,1-3H3/b5-4-,10-7+,11-6+
InChIKeyVPIDAVOQDPICKF-AEILHZCFSA-N
XLogP3.03
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-N-(2-iminoethylidene)-4-iodo-1-N-[(Z)-2-iodoethenyl]but-3-ene-1,2,3-triimine
CID 121327737
2,2-dimethylpropanimidamide;hydrochloride
CID 2781880
2,2,5,5-tetramethylhexane-3,4-diimine
CID 21281613
2-[(Z)-2-[[(Z)-prop-1-enyl]amino]ethenyl]iminoethanimidoyl iodide
CID 136966769
4,4,6-trimethylhept-1-en-3-imine
CID 177141696
carbamoyl 2,2-dimethylpropanimidate
CID 144873528
(E)-5,5-difluoro-4-iminohex-2-en-2-amine
CID 126727631
azane;3,3-dimethylbutan-2-imine;hydrofluoride
CID 144859104
2,2-dimethylpropanediimidamide;dihydrochloride
CID 140977550
2,2-diaminopropanimidamide
CID 87520938
2-methyl-2-nitrosopropanimidamide
CID 55282032
(Z)-1-imino-4,4-dimethylpent-2-en-3-amine
CID 143208767

Frequently Asked Questions

What is the IUPAC name of 1-N-[(Z)-2-iodoethenyl]-3,3-dimethylbutane-1,2-diimine?
The IUPAC name of 1-N-[(Z)-2-iodoethenyl]-3,3-dimethylbutane-1,2-diimine (CID 89029602) is 1-N-[(Z)-2-iodoethenyl]-3,3-dimethylbutane-1,2-diimine.
What is the SMILES notation for 1-N-[(Z)-2-iodoethenyl]-3,3-dimethylbutane-1,2-diimine?
The canonical SMILES for 1-N-[(Z)-2-iodoethenyl]-3,3-dimethylbutane-1,2-diimine is [H]/N=C(\C=N\C=C/I)C(C)(C)C.
What is the InChIKey of 1-N-[(Z)-2-iodoethenyl]-3,3-dimethylbutane-1,2-diimine?
The InChIKey is VPIDAVOQDPICKF-AEILHZCFSA-N. The full InChI is InChI=1S/C8H13IN2/c1-8(2,3)7(10)6-11-5-4-9/h4-6,10H,1-3H3/b5-4-,10-7+,11-6+.
What are the key properties of 1-N-[(Z)-2-iodoethenyl]-3,3-dimethylbutane-1,2-diimine?
1-N-[(Z)-2-iodoethenyl]-3,3-dimethylbutane-1,2-diimine has a molecular weight of 264.11 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(Z)-2-iodoethenyl]-3,3-dimethylbutane-1,2-diimine is sourced from PubChem (CID 89029602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).