2-methyl-1-[2-(2,4,4-trimethylpentan-2-yloxy)ethoxy]propan-2-amine

C14H31NO2 — CID 139380192

IUPAC2-methyl-1-[2-(2,4,4-trimethylpentan-2-yloxy)ethoxy]propan-2-amine
SMILESCC(C)(C)CC(C)(C)OCCOCC(C)(C)N
InChIInChI=1S/C14H31NO2/c1-12(2,3)10-14(6,7)17-9-8-16-11-13(4,5)15/h8-11,15H2,1-7H3
InChIKeyHCHOPUKYLFANTP-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.97
Rot. Bonds7

About 2-methyl-1-[2-(2,4,4-trimethylpentan-2-yloxy)ethoxy]propan-2-amine

2-methyl-1-[2-(2,4,4-trimethylpentan-2-yloxy)ethoxy]propan-2-amine (PubChem CID 139380192) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-methyl-1-[2-(2,4,4-trimethylpentan-2-yloxy)ethoxy]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[2-(2,4,4-trimethylpentan-2-yloxy)ethoxy]propan-2-amine
PubChem CID139380192
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name2-methyl-1-[2-(2,4,4-trimethylpentan-2-yloxy)ethoxy]propan-2-amine
SMILESCC(C)(C)CC(C)(C)OCCOCC(C)(C)N
InChIInChI=1S/C14H31NO2/c1-12(2,3)10-14(6,7)17-9-8-16-11-13(4,5)15/h8-11,15H2,1-7H3
InChIKeyHCHOPUKYLFANTP-UHFFFAOYSA-N
XLogP2.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-ethoxyethoxy)ethoxy]-2,4,4-trimethylpentane
CID 164583787
1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine
CID 64537370
1-(3-methoxy-3-methylbutoxy)-2-methylpropan-2-amine
CID 103034474
2-methyl-1-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]propan-2-amine;hydrochloride
CID 173054273
2,2-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134553502
S-[4-[2-(4-amino-2,4-dimethylpentan-2-yl)oxyethoxy]-2,4-dimethylpentan-2-yl]thiohydroxylamine
CID 138729250
1-(4-methoxybutoxy)-2-methylpropan-2-amine
CID 104648280
2-methyl-1-(3-methylbutoxy)propan-2-amine
CID 64537569
4-(2,4,4-trimethylpentan-2-yloxy)butanamide
CID 138571120
2-[2-(2-methylbutan-2-yloxy)ethoxy]ethanamine
CID 103482466
2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-1-amine
CID 65053170
2-methyl-1-nonoxypropan-2-amine
CID 64536580

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2,4,4-trimethylpentan-2-yloxy)ethoxy]propan-2-amine?
The IUPAC name of 2-methyl-1-[2-(2,4,4-trimethylpentan-2-yloxy)ethoxy]propan-2-amine (CID 139380192) is 2-methyl-1-[2-(2,4,4-trimethylpentan-2-yloxy)ethoxy]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[2-(2,4,4-trimethylpentan-2-yloxy)ethoxy]propan-2-amine?
The canonical SMILES for 2-methyl-1-[2-(2,4,4-trimethylpentan-2-yloxy)ethoxy]propan-2-amine is CC(C)(C)CC(C)(C)OCCOCC(C)(C)N.
What is the InChIKey of 2-methyl-1-[2-(2,4,4-trimethylpentan-2-yloxy)ethoxy]propan-2-amine?
The InChIKey is HCHOPUKYLFANTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-12(2,3)10-14(6,7)17-9-8-16-11-13(4,5)15/h8-11,15H2,1-7H3.
What are the key properties of 2-methyl-1-[2-(2,4,4-trimethylpentan-2-yloxy)ethoxy]propan-2-amine?
2-methyl-1-[2-(2,4,4-trimethylpentan-2-yloxy)ethoxy]propan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2,4,4-trimethylpentan-2-yloxy)ethoxy]propan-2-amine is sourced from PubChem (CID 139380192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).