2-methoxy-2-methyldodecan-4-amine

C14H31NO — CID 103025056

IUPAC2-methoxy-2-methyldodecan-4-amine
SMILESCCCCCCCCC(N)CC(C)(C)OC
InChIInChI=1S/C14H31NO/c1-5-6-7-8-9-10-11-13(15)12-14(2,3)16-4/h13H,5-12,15H2,1-4H3
InChIKeyNUBUSARSWJRDET-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.88
Rot. Bonds10

About 2-methoxy-2-methyldodecan-4-amine

2-methoxy-2-methyldodecan-4-amine (PubChem CID 103025056) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-methoxy-2-methyldodecan-4-amine.

Molecular Properties

Compound Name2-methoxy-2-methyldodecan-4-amine
PubChem CID103025056
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-methoxy-2-methyldodecan-4-amine
SMILESCCCCCCCCC(N)CC(C)(C)OC
InChIInChI=1S/C14H31NO/c1-5-6-7-8-9-10-11-13(15)12-14(2,3)16-4/h13H,5-12,15H2,1-4H3
InChIKeyNUBUSARSWJRDET-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Methylpropyl)oxan-4-amine
CID 64104920
8,8,8-Trifluoro-2-methoxy-2-methyloctan-4-amine
CID 103028746
2-(1-Methoxycyclohexyl)ethan-1-amine
CID 83872899
2-Methoxy-2-methylnonan-1-amine
CID 66072171
N-ethyl-2-methoxy-2-methyltridecan-4-amine
CID 103025039
2-methoxy-2-methyl-N-propyltridecan-4-amine
CID 103025040
2-Methoxy-2-methylundecan-4-amine
CID 103025041
2-methoxy-N,2-dimethylundecan-4-amine
CID 103025042
2-Methoxy-2-methyloctan-4-amine
CID 103025044
2-Methoxy-2-methyldecan-4-amine
CID 103025049
N-ethyl-2-methoxy-2-methyldecan-4-amine
CID 103025050
2-methoxy-N,2,7-trimethyloctan-4-amine
CID 103025053

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyldodecan-4-amine?
The IUPAC name of 2-methoxy-2-methyldodecan-4-amine (CID 103025056) is 2-methoxy-2-methyldodecan-4-amine.
What is the SMILES notation for 2-methoxy-2-methyldodecan-4-amine?
The canonical SMILES for 2-methoxy-2-methyldodecan-4-amine is CCCCCCCCC(N)CC(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methyldodecan-4-amine?
The InChIKey is NUBUSARSWJRDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-5-6-7-8-9-10-11-13(15)12-14(2,3)16-4/h13H,5-12,15H2,1-4H3.
What are the key properties of 2-methoxy-2-methyldodecan-4-amine?
2-methoxy-2-methyldodecan-4-amine has a molecular weight of 229.41 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyldodecan-4-amine is sourced from PubChem (CID 103025056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).