azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide

C17H38INO3 — CID 173063198

IUPACazane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide
SMILESC=O.CCCCCCCCCCCCC(C)(C)C(=O)O.I.N
InChIInChI=1S/C16H32O2.CH2O.HI.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15(17)18;1-2;;/h4-14H2,1-3H3,(H,17,18);1H2;1H;1H3
InChIKeyKMCUIKNAVFKTOT-UHFFFAOYSA-N
MW431.40 g/mol
LogP6.00
Rot. Bonds12

About azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide

azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide (PubChem CID 173063198) has the molecular formula C17H38INO3 and a molecular weight of 431.40 g/mol. Its IUPAC name is azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide.

Molecular Properties

Compound Nameazane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide
PubChem CID173063198
Molecular FormulaC17H38INO3
Molecular Weight431.40 g/mol
Exact Mass431.19
IUPAC Nameazane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide
SMILESC=O.CCCCCCCCCCCCC(C)(C)C(=O)O.I.N
InChIInChI=1S/C16H32O2.CH2O.HI.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15(17)18;1-2;;/h4-14H2,1-3H3,(H,17,18);1H2;1H;1H3
InChIKeyKMCUIKNAVFKTOT-UHFFFAOYSA-N
XLogP6.00
TPSA89.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.40
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyldocosanoic acid
CID 23471202
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792
magnesium;2,2-dimethyloctanoic acid;hydride
CID 173414745
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
7-hydroxy-2,2-dimethyltridecanoic acid
CID 59660145
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
2,2,3,3-tetramethylheptadecanoic acid
CID 54420506
2-cyano-2-methyldecanoic acid
CID 22420429
6,6-dibutyldecylphosphane;2,2-dimethylhexanoic acid
CID 175725227
2,2-dimethyldecanamide
CID 22596903
2-decyl-2-methyltetradecanoic acid
CID 611890

Frequently Asked Questions

What is the IUPAC name of azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide?
The IUPAC name of azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide (CID 173063198) is azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide.
What is the SMILES notation for azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide?
The canonical SMILES for azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide is C=O.CCCCCCCCCCCCC(C)(C)C(=O)O.I.N.
What is the InChIKey of azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide?
The InChIKey is KMCUIKNAVFKTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2.CH2O.HI.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15(17)18;1-2;;/h4-14H2,1-3H3,(H,17,18);1H2;1H;1H3.
What are the key properties of azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide?
azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide has a molecular weight of 431.40 g/mol, XLogP of 6.00, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide is sourced from PubChem (CID 173063198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).