2-methoxy-2-methylundecan-4-amine

C13H29NO — CID 103025041

IUPAC2-methoxy-2-methylundecan-4-amine
SMILESCCCCCCCC(N)CC(C)(C)OC
InChIInChI=1S/C13H29NO/c1-5-6-7-8-9-10-12(14)11-13(2,3)15-4/h12H,5-11,14H2,1-4H3
InChIKeyHEQFAHZLISLTPS-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.49
Rot. Bonds9

About 2-methoxy-2-methylundecan-4-amine

2-methoxy-2-methylundecan-4-amine (PubChem CID 103025041) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-methoxy-2-methylundecan-4-amine.

Molecular Properties

Compound Name2-methoxy-2-methylundecan-4-amine
PubChem CID103025041
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-methoxy-2-methylundecan-4-amine
SMILESCCCCCCCC(N)CC(C)(C)OC
InChIInChI=1S/C13H29NO/c1-5-6-7-8-9-10-12(14)11-13(2,3)15-4/h12H,5-11,14H2,1-4H3
InChIKeyHEQFAHZLISLTPS-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.49
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
2-(1-Methoxycyclohexyl)ethan-1-amine
CID 83872899
2-Methoxy-2-methylnonan-1-amine
CID 66072171
1,1,1-Trifluoro-6-methoxy-6-methylheptan-4-amine
CID 103027354
8,8,8-Trifluoro-2-methoxy-2-methyloctan-4-amine
CID 103028746
1,1,1-Trifluoro-7-methoxy-7-methyloctan-4-amine
CID 103032393
6,6,6-Trifluoro-1-(1-methoxycyclobutyl)hexan-2-amine
CID 103559718
3-Amino-2-methylnonan-2-ol
CID 13585930
2-Methyl-3-[(2-methylpropan-2-yl)oxy]octan-1-amine
CID 20230566
2-Ethyl-2,6-dimethyloxan-4-amine
CID 20821375
7-Amino-2-methyloctan-2-ol
CID 23591595
4-Amino-2-methylnonadecan-2-ol
CID 54338746

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylundecan-4-amine?
The IUPAC name of 2-methoxy-2-methylundecan-4-amine (CID 103025041) is 2-methoxy-2-methylundecan-4-amine.
What is the SMILES notation for 2-methoxy-2-methylundecan-4-amine?
The canonical SMILES for 2-methoxy-2-methylundecan-4-amine is CCCCCCCC(N)CC(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methylundecan-4-amine?
The InChIKey is HEQFAHZLISLTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-6-7-8-9-10-12(14)11-13(2,3)15-4/h12H,5-11,14H2,1-4H3.
What are the key properties of 2-methoxy-2-methylundecan-4-amine?
2-methoxy-2-methylundecan-4-amine has a molecular weight of 215.38 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylundecan-4-amine is sourced from PubChem (CID 103025041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).