2,4,4-trimethyldodecan-2-amine

C15H33N — CID 88894727

IUPAC2,4,4-trimethyldodecan-2-amine
SMILESCCCCCCCCC(C)(C)CC(C)(C)N
InChIInChI=1S/C15H33N/c1-6-7-8-9-10-11-12-14(2,3)13-15(4,5)16/h6-13,16H2,1-5H3
InChIKeyLVBBOGXISVXCBD-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.89
Rot. Bonds9

About 2,4,4-trimethyldodecan-2-amine

2,4,4-trimethyldodecan-2-amine (PubChem CID 88894727) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 2,4,4-trimethyldodecan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyldodecan-2-amine
PubChem CID88894727
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name2,4,4-trimethyldodecan-2-amine
SMILESCCCCCCCCC(C)(C)CC(C)(C)N
InChIInChI=1S/C15H33N/c1-6-7-8-9-10-11-12-14(2,3)13-15(4,5)16/h6-13,16H2,1-5H3
InChIKeyLVBBOGXISVXCBD-UHFFFAOYSA-N
XLogP4.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

16,16,21,21-tetramethylhexatriacontane
CID 174880889
2-methylnonacosan-2-amine;hydrobromide
CID 174437586
2-methylpentacosan-2-amine;hydrochloride
CID 173079320
2-methylheptadecan-2-amine;dihydrobromide
CID 175361639
2-methyltricosan-2-amine;hydrochloride
CID 146444056
2-methylpentadecan-2-amine;hydroiodide
CID 175554566
2,2-dimethyloctan-1-amine
CID 62739423
4,4-dimethyltridecan-1-amine
CID 172686024
3,3-dimethylpentadecane
CID 86034940
3,3-dimethyldodecane
CID 15930786
3,3-dimethylpentadecan-1-amine
CID 81014127
tetracosane-6,6-diamine
CID 154005419

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyldodecan-2-amine?
The IUPAC name of 2,4,4-trimethyldodecan-2-amine (CID 88894727) is 2,4,4-trimethyldodecan-2-amine.
What is the SMILES notation for 2,4,4-trimethyldodecan-2-amine?
The canonical SMILES for 2,4,4-trimethyldodecan-2-amine is CCCCCCCCC(C)(C)CC(C)(C)N.
What is the InChIKey of 2,4,4-trimethyldodecan-2-amine?
The InChIKey is LVBBOGXISVXCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-6-7-8-9-10-11-12-14(2,3)13-15(4,5)16/h6-13,16H2,1-5H3.
What are the key properties of 2,4,4-trimethyldodecan-2-amine?
2,4,4-trimethyldodecan-2-amine has a molecular weight of 227.44 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyldodecan-2-amine is sourced from PubChem (CID 88894727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).