4,4-dimethyldodecan-2-amine

C14H31N — CID 64715723

IUPAC4,4-dimethyldodecan-2-amine
SMILESCCCCCCCCC(C)(C)CC(C)N
InChIInChI=1S/C14H31N/c1-5-6-7-8-9-10-11-14(3,4)12-13(2)15/h13H,5-12,15H2,1-4H3
InChIKeyIXHXPMMDGOYPHW-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.50
Rot. Bonds9

About 4,4-dimethyldodecan-2-amine

4,4-dimethyldodecan-2-amine (PubChem CID 64715723) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 4,4-dimethyldodecan-2-amine.

Molecular Properties

Compound Name4,4-dimethyldodecan-2-amine
PubChem CID64715723
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name4,4-dimethyldodecan-2-amine
SMILESCCCCCCCCC(C)(C)CC(C)N
InChIInChI=1S/C14H31N/c1-5-6-7-8-9-10-11-14(3,4)12-13(2)15/h13H,5-12,15H2,1-4H3
InChIKeyIXHXPMMDGOYPHW-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.50
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

4,4-dimethyldecan-2-ol
CID 19931322
4,6,6-trimethyldodecane
CID 123621829
15,15-dimethylnonacosan-10-amine
CID 175397632
16,16,21,21-tetramethylhexatriacontane
CID 174880889
N-ethyl-4,4-dimethyltetradecan-2-amine
CID 64718292
pentane;7,7,9-trimethylpentadecane
CID 161309819
N-ethyl-4,4-dimethyldodecan-2-amine
CID 64717862
6,6,8-trimethyltridecane
CID 123736183
7-ethoxy-4,4-dimethylheptan-2-amine
CID 65177905
4,4-dimethyl-N-propyldodecan-2-amine
CID 64716818
2,2-dimethyloctan-1-amine
CID 62739423
4,4-dimethyltridecan-1-amine
CID 172686024

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyldodecan-2-amine?
The IUPAC name of 4,4-dimethyldodecan-2-amine (CID 64715723) is 4,4-dimethyldodecan-2-amine.
What is the SMILES notation for 4,4-dimethyldodecan-2-amine?
The canonical SMILES for 4,4-dimethyldodecan-2-amine is CCCCCCCCC(C)(C)CC(C)N.
What is the InChIKey of 4,4-dimethyldodecan-2-amine?
The InChIKey is IXHXPMMDGOYPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-5-6-7-8-9-10-11-14(3,4)12-13(2)15/h13H,5-12,15H2,1-4H3.
What are the key properties of 4,4-dimethyldodecan-2-amine?
4,4-dimethyldodecan-2-amine has a molecular weight of 213.41 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyldodecan-2-amine is sourced from PubChem (CID 64715723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).