N-iodo-N,2-dimethyloctan-1-amine

C10H22IN — CID 170106040

IUPACN-iodo-N,2-dimethyloctan-1-amine
SMILESCCCCCCC(C)CN(C)I
InChIInChI=1S/C10H22IN/c1-4-5-6-7-8-10(2)9-12(3)11/h10H,4-9H2,1-3H3
InChIKeyFAVOGPWYMIFNCI-UHFFFAOYSA-N
MW283.20 g/mol
LogP3.87
Rot. Bonds7

About N-iodo-N,2-dimethyloctan-1-amine

N-iodo-N,2-dimethyloctan-1-amine (PubChem CID 170106040) has the molecular formula C10H22IN and a molecular weight of 283.20 g/mol. Its IUPAC name is N-iodo-N,2-dimethyloctan-1-amine.

Molecular Properties

Compound NameN-iodo-N,2-dimethyloctan-1-amine
PubChem CID170106040
Molecular FormulaC10H22IN
Molecular Weight283.20 g/mol
Exact Mass283.08
IUPAC NameN-iodo-N,2-dimethyloctan-1-amine
SMILESCCCCCCC(C)CN(C)I
InChIInChI=1S/C10H22IN/c1-4-5-6-7-8-10(2)9-12(3)11/h10H,4-9H2,1-3H3
InChIKeyFAVOGPWYMIFNCI-UHFFFAOYSA-N
XLogP3.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 53.87
H-Bond Donors ≤ 50
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,N,2-trimethyltridecan-1-amine
CID 90750057
N-dodecyl-N,2-dimethyldodecan-1-amine
CID 167511099
6-methyloctacosane
CID 22223942
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392
15-methylhentriacontane
CID 6430031
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
15-methyldotriacontane
CID 54168480

Frequently Asked Questions

What is the IUPAC name of N-iodo-N,2-dimethyloctan-1-amine?
The IUPAC name of N-iodo-N,2-dimethyloctan-1-amine (CID 170106040) is N-iodo-N,2-dimethyloctan-1-amine.
What is the SMILES notation for N-iodo-N,2-dimethyloctan-1-amine?
The canonical SMILES for N-iodo-N,2-dimethyloctan-1-amine is CCCCCCC(C)CN(C)I.
What is the InChIKey of N-iodo-N,2-dimethyloctan-1-amine?
The InChIKey is FAVOGPWYMIFNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22IN/c1-4-5-6-7-8-10(2)9-12(3)11/h10H,4-9H2,1-3H3.
What are the key properties of N-iodo-N,2-dimethyloctan-1-amine?
N-iodo-N,2-dimethyloctan-1-amine has a molecular weight of 283.20 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N,2-dimethyloctan-1-amine is sourced from PubChem (CID 170106040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).