12-iodo-N-propyldodecan-1-amine

C15H32IN — CID 166998294

IUPAC12-iodo-N-propyldodecan-1-amine
SMILESCCCNCCCCCCCCCCCCI
InChIInChI=1S/C15H32IN/c1-2-14-17-15-12-10-8-6-4-3-5-7-9-11-13-16/h17H,2-15H2,1H3
InChIKeyKIPNMCIENKMXFY-UHFFFAOYSA-N
MW353.33 g/mol
LogP5.32
Rot. Bonds14

About 12-iodo-N-propyldodecan-1-amine

12-iodo-N-propyldodecan-1-amine (PubChem CID 166998294) has the molecular formula C15H32IN and a molecular weight of 353.33 g/mol. Its IUPAC name is 12-iodo-N-propyldodecan-1-amine.

Molecular Properties

Compound Name12-iodo-N-propyldodecan-1-amine
PubChem CID166998294
Molecular FormulaC15H32IN
Molecular Weight353.33 g/mol
Exact Mass353.16
IUPAC Name12-iodo-N-propyldodecan-1-amine
SMILESCCCNCCCCCCCCCCCCI
InChIInChI=1S/C15H32IN/c1-2-14-17-15-12-10-8-6-4-3-5-7-9-11-13-16/h17H,2-15H2,1H3
InChIKeyKIPNMCIENKMXFY-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.33
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodobutyl)octan-1-amine
CID 106844597
N-(3-iodopropyl)octan-1-amine
CID 114503684
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
N-ethyl-7-iodoheptan-1-amine
CID 152937325
N-propylhexadecan-1-amine
CID 18792182
N-(2-iodoethyl)octan-1-amine
CID 114505499
N-(2-iodoethyl)decan-1-amine
CID 114505411
N-propyloctadecan-1-amine;hydrofluoride
CID 88723062
azane;N-propyltetradecan-1-amine
CID 18792183
N-propylhexadecan-1-amine;hydroiodide
CID 175532385
N-ethyl-4-iodobutan-1-amine
CID 87850585
N-propyldodecan-1-amine;hydrate
CID 175137397

Frequently Asked Questions

What is the IUPAC name of 12-iodo-N-propyldodecan-1-amine?
The IUPAC name of 12-iodo-N-propyldodecan-1-amine (CID 166998294) is 12-iodo-N-propyldodecan-1-amine.
What is the SMILES notation for 12-iodo-N-propyldodecan-1-amine?
The canonical SMILES for 12-iodo-N-propyldodecan-1-amine is CCCNCCCCCCCCCCCCI.
What is the InChIKey of 12-iodo-N-propyldodecan-1-amine?
The InChIKey is KIPNMCIENKMXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32IN/c1-2-14-17-15-12-10-8-6-4-3-5-7-9-11-13-16/h17H,2-15H2,1H3.
What are the key properties of 12-iodo-N-propyldodecan-1-amine?
12-iodo-N-propyldodecan-1-amine has a molecular weight of 353.33 g/mol, XLogP of 5.32, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-iodo-N-propyldodecan-1-amine is sourced from PubChem (CID 166998294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).