N-butyl-N-iodobutan-1-amine

C8H18IN — CID 19800845

IUPACN-butyl-N-iodobutan-1-amine
SMILESCCCCN(I)CCCC
InChIInChI=1S/C8H18IN/c1-3-5-7-10(9)8-6-4-2/h3-8H2,1-2H3
InChIKeyUPJSJQMZWJSFNP-UHFFFAOYSA-N
MW255.14 g/mol
LogP3.24
Rot. Bonds6

About N-butyl-N-iodobutan-1-amine

N-butyl-N-iodobutan-1-amine (PubChem CID 19800845) has the molecular formula C8H18IN and a molecular weight of 255.14 g/mol. Its IUPAC name is N-butyl-N-iodobutan-1-amine.

Molecular Properties

Compound NameN-butyl-N-iodobutan-1-amine
PubChem CID19800845
Molecular FormulaC8H18IN
Molecular Weight255.14 g/mol
Exact Mass255.05
IUPAC NameN-butyl-N-iodobutan-1-amine
SMILESCCCCN(I)CCCC
InChIInChI=1S/C8H18IN/c1-3-5-7-10(9)8-6-4-2/h3-8H2,1-2H3
InChIKeyUPJSJQMZWJSFNP-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 53.24
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'}

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Related Compounds

2-[hexadecyl(iodo)amino]ethanol
CID 174670309
N,N-diiodopentan-1-amine
CID 87126049
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
1,1,2,2-tetrabutylhydrazine;hydrate
CID 172702997
N-butyl-N-iodoacetamide
CID 18767604
N,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine
CID 154124490
N-butyl-N-[tris(dibutylamino)-iodo-lambda5-phosphanyl]butan-1-amine
CID 12824569
bromomethane;N,N-dibutylbutan-1-amine
CID 87916924
N,N-dibutylbutan-1-amine;molecular hydrogen
CID 174513596
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-iodobutan-1-amine?
The IUPAC name of N-butyl-N-iodobutan-1-amine (CID 19800845) is N-butyl-N-iodobutan-1-amine.
What is the SMILES notation for N-butyl-N-iodobutan-1-amine?
The canonical SMILES for N-butyl-N-iodobutan-1-amine is CCCCN(I)CCCC.
What is the InChIKey of N-butyl-N-iodobutan-1-amine?
The InChIKey is UPJSJQMZWJSFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18IN/c1-3-5-7-10(9)8-6-4-2/h3-8H2,1-2H3.
What are the key properties of N-butyl-N-iodobutan-1-amine?
N-butyl-N-iodobutan-1-amine has a molecular weight of 255.14 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-iodobutan-1-amine is sourced from PubChem (CID 19800845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).