1-N-(1-cyclopropylpropan-2-yl)-2-iodobenzene-1,4-diamine

C12H17IN2 — CID 66093989

IUPAC1-N-(1-cyclopropylpropan-2-yl)-2-iodobenzene-1,4-diamine
SMILESCC(CC1CC1)Nc1ccc(N)cc1I
InChIInChI=1S/C12H17IN2/c1-8(6-9-2-3-9)15-12-5-4-10(14)7-11(12)13/h4-5,7-9,15H,2-3,6,14H2,1H3
InChIKeyUWVFVTDWSCZVKZ-UHFFFAOYSA-N
MW316.19 g/mol
LogP3.47
Rot. Bonds4

About 1-N-(1-cyclopropylpropan-2-yl)-2-iodobenzene-1,4-diamine

1-N-(1-cyclopropylpropan-2-yl)-2-iodobenzene-1,4-diamine (PubChem CID 66093989) has the molecular formula C12H17IN2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 1-N-(1-cyclopropylpropan-2-yl)-2-iodobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(1-cyclopropylpropan-2-yl)-2-iodobenzene-1,4-diamine
PubChem CID66093989
Molecular FormulaC12H17IN2
Molecular Weight316.19 g/mol
Exact Mass316.04
IUPAC Name1-N-(1-cyclopropylpropan-2-yl)-2-iodobenzene-1,4-diamine
SMILESCC(CC1CC1)Nc1ccc(N)cc1I
InChIInChI=1S/C12H17IN2/c1-8(6-9-2-3-9)15-12-5-4-10(14)7-11(12)13/h4-5,7-9,15H,2-3,6,14H2,1H3
InChIKeyUWVFVTDWSCZVKZ-UHFFFAOYSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(1-cyclopropylpropan-2-yl)-2-iodobenzene-1,4-diamine?
The IUPAC name of 1-N-(1-cyclopropylpropan-2-yl)-2-iodobenzene-1,4-diamine (CID 66093989) is 1-N-(1-cyclopropylpropan-2-yl)-2-iodobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(1-cyclopropylpropan-2-yl)-2-iodobenzene-1,4-diamine?
The canonical SMILES for 1-N-(1-cyclopropylpropan-2-yl)-2-iodobenzene-1,4-diamine is CC(CC1CC1)Nc1ccc(N)cc1I.
What is the InChIKey of 1-N-(1-cyclopropylpropan-2-yl)-2-iodobenzene-1,4-diamine?
The InChIKey is UWVFVTDWSCZVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2/c1-8(6-9-2-3-9)15-12-5-4-10(14)7-11(12)13/h4-5,7-9,15H,2-3,6,14H2,1H3.
What are the key properties of 1-N-(1-cyclopropylpropan-2-yl)-2-iodobenzene-1,4-diamine?
1-N-(1-cyclopropylpropan-2-yl)-2-iodobenzene-1,4-diamine has a molecular weight of 316.19 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-cyclopropylpropan-2-yl)-2-iodobenzene-1,4-diamine is sourced from PubChem (CID 66093989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).