4-butyl-N-iodo-N-methyloctan-1-amine

C13H28IN — CID 163694907

IUPAC4-butyl-N-iodo-N-methyloctan-1-amine
SMILESCCCCC(CCCC)CCCN(C)I
InChIInChI=1S/C13H28IN/c1-4-6-9-13(10-7-5-2)11-8-12-15(3)14/h13H,4-12H2,1-3H3
InChIKeyJWDJRMNXBXHCSA-UHFFFAOYSA-N
MW325.28 g/mol
LogP5.05
Rot. Bonds10

About 4-butyl-N-iodo-N-methyloctan-1-amine

4-butyl-N-iodo-N-methyloctan-1-amine (PubChem CID 163694907) has the molecular formula C13H28IN and a molecular weight of 325.28 g/mol. Its IUPAC name is 4-butyl-N-iodo-N-methyloctan-1-amine.

Molecular Properties

Compound Name4-butyl-N-iodo-N-methyloctan-1-amine
PubChem CID163694907
Molecular FormulaC13H28IN
Molecular Weight325.28 g/mol
Exact Mass325.13
IUPAC Name4-butyl-N-iodo-N-methyloctan-1-amine
SMILESCCCCC(CCCC)CCCN(C)I
InChIInChI=1S/C13H28IN/c1-4-6-9-13(10-7-5-2)11-8-12-15(3)14/h13H,4-12H2,1-3H3
InChIKeyJWDJRMNXBXHCSA-UHFFFAOYSA-N
XLogP5.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.28
LogP ≤ 55.05
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'}

Analyze 4-butyl-N-iodo-N-methyloctan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-pentyldecan-1-amine
CID 154963901
N,N'-diiodo-N,N'-dimethylpropane-1,3-diamine
CID 155240108
azane;5-butyldecane
CID 118324151
4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
CID 58251491
13-butyldotriacontane
CID 91613083
14-butylheptatriacontane
CID 91361474
16-butylhentriacontane
CID 91509035
methane;4-propyloctane
CID 160687994
6-butylhenicosane
CID 91802566
5,9-dibutyl-13-propylheptadecane
CID 58862392
7-pentyltricosane
CID 90879409
11-pentylheptacosane
CID 91575569

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-iodo-N-methyloctan-1-amine?
The IUPAC name of 4-butyl-N-iodo-N-methyloctan-1-amine (CID 163694907) is 4-butyl-N-iodo-N-methyloctan-1-amine.
What is the SMILES notation for 4-butyl-N-iodo-N-methyloctan-1-amine?
The canonical SMILES for 4-butyl-N-iodo-N-methyloctan-1-amine is CCCCC(CCCC)CCCN(C)I.
What is the InChIKey of 4-butyl-N-iodo-N-methyloctan-1-amine?
The InChIKey is JWDJRMNXBXHCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28IN/c1-4-6-9-13(10-7-5-2)11-8-12-15(3)14/h13H,4-12H2,1-3H3.
What are the key properties of 4-butyl-N-iodo-N-methyloctan-1-amine?
4-butyl-N-iodo-N-methyloctan-1-amine has a molecular weight of 325.28 g/mol, XLogP of 5.05, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-iodo-N-methyloctan-1-amine is sourced from PubChem (CID 163694907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).