N-(4-iodobutyl)octan-1-amine

C12H26IN — CID 106844597

IUPACN-(4-iodobutyl)octan-1-amine
SMILESCCCCCCCCNCCCCI
InChIInChI=1S/C12H26IN/c1-2-3-4-5-6-8-11-14-12-9-7-10-13/h14H,2-12H2,1H3
InChIKeyDXWVARSXYPSJPB-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.15
Rot. Bonds11

About N-(4-iodobutyl)octan-1-amine

N-(4-iodobutyl)octan-1-amine (PubChem CID 106844597) has the molecular formula C12H26IN and a molecular weight of 311.25 g/mol. Its IUPAC name is N-(4-iodobutyl)octan-1-amine.

Molecular Properties

Compound NameN-(4-iodobutyl)octan-1-amine
PubChem CID106844597
Molecular FormulaC12H26IN
Molecular Weight311.25 g/mol
Exact Mass311.11
IUPAC NameN-(4-iodobutyl)octan-1-amine
SMILESCCCCCCCCNCCCCI
InChIInChI=1S/C12H26IN/c1-2-3-4-5-6-8-11-14-12-9-7-10-13/h14H,2-12H2,1H3
InChIKeyDXWVARSXYPSJPB-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.15
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-(3-iodopropyl)octan-1-amine
CID 114503684
N-(2-iodoethyl)octan-1-amine
CID 114505499
N-(2-iodoethyl)decan-1-amine
CID 114505411
12-iodo-N-propyldodecan-1-amine
CID 166998294
octane;N-octylnonan-1-amine
CID 145152206
N-hexyltridecan-1-amine
CID 87659278
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847

Frequently Asked Questions

What is the IUPAC name of N-(4-iodobutyl)octan-1-amine?
The IUPAC name of N-(4-iodobutyl)octan-1-amine (CID 106844597) is N-(4-iodobutyl)octan-1-amine.
What is the SMILES notation for N-(4-iodobutyl)octan-1-amine?
The canonical SMILES for N-(4-iodobutyl)octan-1-amine is CCCCCCCCNCCCCI.
What is the InChIKey of N-(4-iodobutyl)octan-1-amine?
The InChIKey is DXWVARSXYPSJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26IN/c1-2-3-4-5-6-8-11-14-12-9-7-10-13/h14H,2-12H2,1H3.
What are the key properties of N-(4-iodobutyl)octan-1-amine?
N-(4-iodobutyl)octan-1-amine has a molecular weight of 311.25 g/mol, XLogP of 4.15, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodobutyl)octan-1-amine is sourced from PubChem (CID 106844597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).