iodanium N-(2,2-dimethylpropyl)-2-methyldecan-1-amine

C16H37IN+ — CID 172681101

IUPACiodanium N-(2,2-dimethylpropyl)-2-methyldecan-1-amine
SMILESCCCCCCCCC(C)CNCC(C)(C)C.[IH2+]
InChIInChI=1S/C16H35N.H2I/c1-6-7-8-9-10-11-12-15(2)13-17-14-16(3,4)5;/h15,17H,6-14H2,1-5H3;1H2/q;+1
InChIKeyFCLPHLGMJYVUTK-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.48
Rot. Bonds10

About iodanium N-(2,2-dimethylpropyl)-2-methyldecan-1-amine

iodanium N-(2,2-dimethylpropyl)-2-methyldecan-1-amine (PubChem CID 172681101) has the molecular formula C16H37IN+ and a molecular weight of 370.38 g/mol. Its IUPAC name is iodanium N-(2,2-dimethylpropyl)-2-methyldecan-1-amine.

Molecular Properties

Compound Nameiodanium N-(2,2-dimethylpropyl)-2-methyldecan-1-amine
PubChem CID172681101
Molecular FormulaC16H37IN+
Molecular Weight370.38 g/mol
Exact Mass370.20
IUPAC Nameiodanium N-(2,2-dimethylpropyl)-2-methyldecan-1-amine
SMILESCCCCCCCCC(C)CNCC(C)(C)C.[IH2+]
InChIInChI=1S/C16H35N.H2I/c1-6-7-8-9-10-11-12-15(2)13-17-14-16(3,4)5;/h15,17H,6-14H2,1-5H3;1H2/q;+1
InChIKeyFCLPHLGMJYVUTK-UHFFFAOYSA-N
XLogP1.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.48
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'}

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Related Compounds

2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine
CID 114899272
N-(2,2-dimethylpropyl)-6-methylnonan-1-amine
CID 166678399
4-(2,2-dimethylpropylamino)-3-methylbutan-1-ol
CID 66091312
2,2,4-trimethyltetradecane
CID 19913540
2,2,4-trimethylundecane
CID 57127021
N-(2-methylnonyl)formamide
CID 146433499
2,2,5-trimethyldodecane
CID 54169953
N-iodo-2-methylundecan-1-amine
CID 163764943
N-(2-methyloctyl)hydroxylamine
CID 174230659
(9R)-9-methylicosane
CID 170848391
7,17-dimethylpentacosane
CID 56936202
27-methyltripentacontane
CID 91450521

Frequently Asked Questions

What is the IUPAC name of iodanium N-(2,2-dimethylpropyl)-2-methyldecan-1-amine?
The IUPAC name of iodanium N-(2,2-dimethylpropyl)-2-methyldecan-1-amine (CID 172681101) is iodanium N-(2,2-dimethylpropyl)-2-methyldecan-1-amine.
What is the SMILES notation for iodanium N-(2,2-dimethylpropyl)-2-methyldecan-1-amine?
The canonical SMILES for iodanium N-(2,2-dimethylpropyl)-2-methyldecan-1-amine is CCCCCCCCC(C)CNCC(C)(C)C.[IH2+].
What is the InChIKey of iodanium N-(2,2-dimethylpropyl)-2-methyldecan-1-amine?
The InChIKey is FCLPHLGMJYVUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.H2I/c1-6-7-8-9-10-11-12-15(2)13-17-14-16(3,4)5;/h15,17H,6-14H2,1-5H3;1H2/q;+1.
What are the key properties of iodanium N-(2,2-dimethylpropyl)-2-methyldecan-1-amine?
iodanium N-(2,2-dimethylpropyl)-2-methyldecan-1-amine has a molecular weight of 370.38 g/mol, XLogP of 1.48, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodanium N-(2,2-dimethylpropyl)-2-methyldecan-1-amine is sourced from PubChem (CID 172681101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).