3-iodo-1,1-dipropylurea

C7H15IN2O — CID 87969845

IUPAC3-iodo-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)NI
InChIInChI=1S/C7H15IN2O/c1-3-5-10(6-4-2)7(11)9-8/h3-6H2,1-2H3,(H,9,11)
InChIKeyQJDMFQVSVSVAKF-UHFFFAOYSA-N
MW270.11 g/mol
LogP2.17
Rot. Bonds4

About 3-iodo-1,1-dipropylurea

3-iodo-1,1-dipropylurea (PubChem CID 87969845) has the molecular formula C7H15IN2O and a molecular weight of 270.11 g/mol. Its IUPAC name is 3-iodo-1,1-dipropylurea.

Molecular Properties

Compound Name3-iodo-1,1-dipropylurea
PubChem CID87969845
Molecular FormulaC7H15IN2O
Molecular Weight270.11 g/mol
Exact Mass270.02
IUPAC Name3-iodo-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)NI
InChIInChI=1S/C7H15IN2O/c1-3-5-10(6-4-2)7(11)9-8/h3-6H2,1-2H3,(H,9,11)
InChIKeyQJDMFQVSVSVAKF-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-but-1-enyl]-1,1-dipropylurea
CID 108910720
3-butan-2-yl-1,1-dipropylurea
CID 17217773
3-methyl-1-pentyl-1-propylurea
CID 134269758
3-amino-1-ethyl-1-propylurea
CID 43269070
3-(dipropylcarbamoylamino)-2-methylpropanoic acid
CID 62668824
1-octyl-1,3-dipropylurea
CID 87897947
methyl 2-(dipropylcarbamoylamino)propanoate
CID 3752223
lithium N,N-dipropylacetamide
CID 10997201
2-[[ethyl(propyl)carbamoyl]amino]acetic acid
CID 43445697
6-(dipropylcarbamoylamino)hexanoic acid
CID 61181306
(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825581
1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
CID 62698156

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1,1-dipropylurea?
The IUPAC name of 3-iodo-1,1-dipropylurea (CID 87969845) is 3-iodo-1,1-dipropylurea.
What is the SMILES notation for 3-iodo-1,1-dipropylurea?
The canonical SMILES for 3-iodo-1,1-dipropylurea is CCCN(CCC)C(=O)NI.
What is the InChIKey of 3-iodo-1,1-dipropylurea?
The InChIKey is QJDMFQVSVSVAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15IN2O/c1-3-5-10(6-4-2)7(11)9-8/h3-6H2,1-2H3,(H,9,11).
What are the key properties of 3-iodo-1,1-dipropylurea?
3-iodo-1,1-dipropylurea has a molecular weight of 270.11 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1,1-dipropylurea is sourced from PubChem (CID 87969845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).