13-iodo-7,7-dimethyltridecan-1-amine

C15H32IN — CID 89328032

IUPAC13-iodo-7,7-dimethyltridecan-1-amine
SMILESCC(C)(CCCCCCN)CCCCCCI
InChIInChI=1S/C15H32IN/c1-15(2,11-7-3-5-9-13-16)12-8-4-6-10-14-17/h3-14,17H2,1-2H3
InChIKeyGLYMUVCHPAYIGD-UHFFFAOYSA-N
MW353.33 g/mol
LogP5.31
Rot. Bonds12

About 13-iodo-7,7-dimethyltridecan-1-amine

13-iodo-7,7-dimethyltridecan-1-amine (PubChem CID 89328032) has the molecular formula C15H32IN and a molecular weight of 353.33 g/mol. Its IUPAC name is 13-iodo-7,7-dimethyltridecan-1-amine.

Molecular Properties

Compound Name13-iodo-7,7-dimethyltridecan-1-amine
PubChem CID89328032
Molecular FormulaC15H32IN
Molecular Weight353.33 g/mol
Exact Mass353.16
IUPAC Name13-iodo-7,7-dimethyltridecan-1-amine
SMILESCC(C)(CCCCCCN)CCCCCCI
InChIInChI=1S/C15H32IN/c1-15(2,11-7-3-5-9-13-16)12-8-4-6-10-14-17/h3-14,17H2,1-2H3
InChIKeyGLYMUVCHPAYIGD-UHFFFAOYSA-N
XLogP5.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.33
LogP ≤ 55.31
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

4,4-dimethyltridecan-1-amine
CID 172686024
18,18-dimethylnonadecan-1-amine
CID 53249240
12,12-dimethyltridecan-1-amine
CID 87103604
18,18-dimethylnonadecan-1-amine;hydrofluoride
CID 173042311
3,3-dimethylpentadecan-1-amine
CID 81014127
CID 160729242
CID 160729242
6-amino-3,3-dimethylhexan-1-ol
CID 134232147
3-iodopropan-1-amine
CID 21194665
5,5-dimethylhexan-1-amine;hydrochloride
CID 143616686
hexane-1,5,5-triamine
CID 23298659
(6R)-6-iodo-6-N-methylheptane-1,6-diamine
CID 118671196
11-methyldodecane-1,11-diamine;propane
CID 145179809

Frequently Asked Questions

What is the IUPAC name of 13-iodo-7,7-dimethyltridecan-1-amine?
The IUPAC name of 13-iodo-7,7-dimethyltridecan-1-amine (CID 89328032) is 13-iodo-7,7-dimethyltridecan-1-amine.
What is the SMILES notation for 13-iodo-7,7-dimethyltridecan-1-amine?
The canonical SMILES for 13-iodo-7,7-dimethyltridecan-1-amine is CC(C)(CCCCCCN)CCCCCCI.
What is the InChIKey of 13-iodo-7,7-dimethyltridecan-1-amine?
The InChIKey is GLYMUVCHPAYIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32IN/c1-15(2,11-7-3-5-9-13-16)12-8-4-6-10-14-17/h3-14,17H2,1-2H3.
What are the key properties of 13-iodo-7,7-dimethyltridecan-1-amine?
13-iodo-7,7-dimethyltridecan-1-amine has a molecular weight of 353.33 g/mol, XLogP of 5.31, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-iodo-7,7-dimethyltridecan-1-amine is sourced from PubChem (CID 89328032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).