N-iodooctan-1-amine

C8H18IN — CID 90266346

IUPACN-iodooctan-1-amine
SMILESCCCCCCCCNI
InChIInChI=1S/C8H18IN/c1-2-3-4-5-6-7-8-10-9/h10H,2-8H2,1H3
InChIKeyQHAUCWQAEFEDPV-UHFFFAOYSA-N
MW255.14 g/mol
LogP3.29
Rot. Bonds7

About N-iodooctan-1-amine

N-iodooctan-1-amine (PubChem CID 90266346) has the molecular formula C8H18IN and a molecular weight of 255.14 g/mol. Its IUPAC name is N-iodooctan-1-amine.

Molecular Properties

Compound NameN-iodooctan-1-amine
PubChem CID90266346
Molecular FormulaC8H18IN
Molecular Weight255.14 g/mol
Exact Mass255.05
IUPAC NameN-iodooctan-1-amine
SMILESCCCCCCCCNI
InChIInChI=1S/C8H18IN/c1-2-3-4-5-6-7-8-10-9/h10H,2-8H2,1H3
InChIKeyQHAUCWQAEFEDPV-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-iodo-12,17-dipentyloctacosan-1-amine
CID 166964712
N-hexyltridecan-1-amine
CID 87659278
1,2-diheptylhydrazine
CID 11195547
1-decyl-2-octylhydrazine
CID 154085192
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
iodomethane;octadecane
CID 174964097
N-methyltriacontan-1-amine
CID 19840895
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
1-butyl-2-octylhydrazine
CID 88598240

Frequently Asked Questions

What is the IUPAC name of N-iodooctan-1-amine?
The IUPAC name of N-iodooctan-1-amine (CID 90266346) is N-iodooctan-1-amine.
What is the SMILES notation for N-iodooctan-1-amine?
The canonical SMILES for N-iodooctan-1-amine is CCCCCCCCNI.
What is the InChIKey of N-iodooctan-1-amine?
The InChIKey is QHAUCWQAEFEDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18IN/c1-2-3-4-5-6-7-8-10-9/h10H,2-8H2,1H3.
What are the key properties of N-iodooctan-1-amine?
N-iodooctan-1-amine has a molecular weight of 255.14 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodooctan-1-amine is sourced from PubChem (CID 90266346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).