3-ethyl-N-iodo-3-methylpentan-2-imine

C8H16IN — CID 142531838

IUPAC3-ethyl-N-iodo-3-methylpentan-2-imine
SMILESCCC(C)(CC)/C(C)=N/I
InChIInChI=1S/C8H16IN/c1-5-8(4,6-2)7(3)10-9/h5-6H2,1-4H3/b10-7+
InChIKeyBJZLOVRODJXZIY-JXMROGBWSA-N
MW253.13 g/mol
LogP3.62
Rot. Bonds3

About 3-ethyl-N-iodo-3-methylpentan-2-imine

3-ethyl-N-iodo-3-methylpentan-2-imine (PubChem CID 142531838) has the molecular formula C8H16IN and a molecular weight of 253.13 g/mol. Its IUPAC name is 3-ethyl-N-iodo-3-methylpentan-2-imine.

Molecular Properties

Compound Name3-ethyl-N-iodo-3-methylpentan-2-imine
PubChem CID142531838
Molecular FormulaC8H16IN
Molecular Weight253.13 g/mol
Exact Mass253.03
IUPAC Name3-ethyl-N-iodo-3-methylpentan-2-imine
SMILESCCC(C)(CC)/C(C)=N/I
InChIInChI=1S/C8H16IN/c1-5-8(4,6-2)7(3)10-9/h5-6H2,1-4H3/b10-7+
InChIKeyBJZLOVRODJXZIY-JXMROGBWSA-N
XLogP3.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-3,4,5-trimethylhept-3-ene
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(NE)-N-(3-methoxy-3-methylpentan-2-ylidene)hydroxylamine
CID 10606878
N-ethyl-3-methoxy-3-methylpentan-2-imine
CID 146600156
(2S)-2-iodobutan-2-ol
CID 126611697
2-(iodomethyl)-2-methylbutanoic acid
CID 155784783
3-methyl-2-methyliminopentan-3-ol;neodymium
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3-methyl-2-methyliminopentan-3-ol;scandium
CID 153491697
(3S)-3-ethyl-3-methylnonan-2-one
CID 177059310
3-ethyl-2-fluoro-3-methylpent-1-ene
CID 123981709
[(Z)-4-ethyl-4-methylhex-2-en-3-yl]-prop-1-en-2-yldiazene
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6-ethyl-6-methyloctane-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-iodo-3-methylpentan-2-imine?
The IUPAC name of 3-ethyl-N-iodo-3-methylpentan-2-imine (CID 142531838) is 3-ethyl-N-iodo-3-methylpentan-2-imine.
What is the SMILES notation for 3-ethyl-N-iodo-3-methylpentan-2-imine?
The canonical SMILES for 3-ethyl-N-iodo-3-methylpentan-2-imine is CCC(C)(CC)/C(C)=N/I.
What is the InChIKey of 3-ethyl-N-iodo-3-methylpentan-2-imine?
The InChIKey is BJZLOVRODJXZIY-JXMROGBWSA-N. The full InChI is InChI=1S/C8H16IN/c1-5-8(4,6-2)7(3)10-9/h5-6H2,1-4H3/b10-7+.
What are the key properties of 3-ethyl-N-iodo-3-methylpentan-2-imine?
3-ethyl-N-iodo-3-methylpentan-2-imine has a molecular weight of 253.13 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-iodo-3-methylpentan-2-imine is sourced from PubChem (CID 142531838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).