2,2-dimethyldodecan-3-amine

C14H31N — CID 43370499

IUPAC2,2-dimethyldodecan-3-amine
SMILESCCCCCCCCCC(N)C(C)(C)C
InChIInChI=1S/C14H31N/c1-5-6-7-8-9-10-11-12-13(15)14(2,3)4/h13H,5-12,15H2,1-4H3
InChIKeyJGZZCCJZFYXRIX-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.50
Rot. Bonds8

About 2,2-dimethyldodecan-3-amine

2,2-dimethyldodecan-3-amine (PubChem CID 43370499) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 2,2-dimethyldodecan-3-amine.

Molecular Properties

Compound Name2,2-dimethyldodecan-3-amine
PubChem CID43370499
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name2,2-dimethyldodecan-3-amine
SMILESCCCCCCCCCC(N)C(C)(C)C
InChIInChI=1S/C14H31N/c1-5-6-7-8-9-10-11-12-13(15)14(2,3)4/h13H,5-12,15H2,1-4H3
InChIKeyJGZZCCJZFYXRIX-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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

(3R)-2,2-dimethylpentadecan-3-amine
CID 124525155
(3S)-2,2-dimethyloctan-3-amine
CID 93237613
2-methyldecane-2,3-diamine
CID 87934186
2-N,2-N,2-trimethylnonane-2,3-diamine
CID 79053375
4,4-dimethylicosan-5-amine;hydrobromide
CID 173152006
2-aminotetradecane-1,1,1-triol;hydrochloride
CID 173374049
4-hexyl-2,2-dimethyldecan-3-amine
CID 146243827
2-ethoxy-2-methylundecan-3-amine
CID 116726130
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
2-aminoheptane-1,1,1-triol
CID 90384529
15-tetradecyltriacontane-15,16-diamine
CID 129286411

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyldodecan-3-amine?
The IUPAC name of 2,2-dimethyldodecan-3-amine (CID 43370499) is 2,2-dimethyldodecan-3-amine.
What is the SMILES notation for 2,2-dimethyldodecan-3-amine?
The canonical SMILES for 2,2-dimethyldodecan-3-amine is CCCCCCCCCC(N)C(C)(C)C.
What is the InChIKey of 2,2-dimethyldodecan-3-amine?
The InChIKey is JGZZCCJZFYXRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-5-6-7-8-9-10-11-12-13(15)14(2,3)4/h13H,5-12,15H2,1-4H3.
What are the key properties of 2,2-dimethyldodecan-3-amine?
2,2-dimethyldodecan-3-amine has a molecular weight of 213.41 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyldodecan-3-amine is sourced from PubChem (CID 43370499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).