N-(3-iodopropyl)octan-1-amine

C11H24IN — CID 114503684

IUPACN-(3-iodopropyl)octan-1-amine
SMILESCCCCCCCCNCCCI
InChIInChI=1S/C11H24IN/c1-2-3-4-5-6-7-10-13-11-8-9-12/h13H,2-11H2,1H3
InChIKeyQZTJKFVAMUZHSU-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.76
Rot. Bonds10

About N-(3-iodopropyl)octan-1-amine

N-(3-iodopropyl)octan-1-amine (PubChem CID 114503684) has the molecular formula C11H24IN and a molecular weight of 297.22 g/mol. Its IUPAC name is N-(3-iodopropyl)octan-1-amine.

Molecular Properties

Compound NameN-(3-iodopropyl)octan-1-amine
PubChem CID114503684
Molecular FormulaC11H24IN
Molecular Weight297.22 g/mol
Exact Mass297.10
IUPAC NameN-(3-iodopropyl)octan-1-amine
SMILESCCCCCCCCNCCCI
InChIInChI=1S/C11H24IN/c1-2-3-4-5-6-7-10-13-11-8-9-12/h13H,2-11H2,1H3
InChIKeyQZTJKFVAMUZHSU-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.76
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-(2-iodoethyl)octan-1-amine
CID 114505499
N-(2-iodoethyl)decan-1-amine
CID 114505411
azane;N-hexyldecan-1-amine;dihydroiodide
CID 173206397
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
12-iodo-N-propyldodecan-1-amine
CID 166998294
N-propylhexadecan-1-amine;hydroiodide
CID 175532385
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669

Frequently Asked Questions

What is the IUPAC name of N-(3-iodopropyl)octan-1-amine?
The IUPAC name of N-(3-iodopropyl)octan-1-amine (CID 114503684) is N-(3-iodopropyl)octan-1-amine.
What is the SMILES notation for N-(3-iodopropyl)octan-1-amine?
The canonical SMILES for N-(3-iodopropyl)octan-1-amine is CCCCCCCCNCCCI.
What is the InChIKey of N-(3-iodopropyl)octan-1-amine?
The InChIKey is QZTJKFVAMUZHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24IN/c1-2-3-4-5-6-7-10-13-11-8-9-12/h13H,2-11H2,1H3.
What are the key properties of N-(3-iodopropyl)octan-1-amine?
N-(3-iodopropyl)octan-1-amine has a molecular weight of 297.22 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodopropyl)octan-1-amine is sourced from PubChem (CID 114503684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).