2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine

C13H29NO2 — CID 112589746

IUPAC2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine
SMILESCC(CNC(C)(C)C)OCCOC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-11(10-14-12(2,3)4)15-8-9-16-13(5,6)7/h11,14H,8-10H2,1-7H3
InChIKeyCZDMDMLTDHFVFQ-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.59
Rot. Bonds6

About 2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine

2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine (PubChem CID 112589746) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine
PubChem CID112589746
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine
SMILESCC(CNC(C)(C)C)OCCOC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-11(10-14-12(2,3)4)15-8-9-16-13(5,6)7/h11,14H,8-10H2,1-7H3
InChIKeyCZDMDMLTDHFVFQ-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.59
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

N-[2-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62457300
N-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
CID 112590002
N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
CID 112589849
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 112590123
2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane
CID 162034273
N-[2-[2-(diethylamino)ethoxy]propyl]-2-methylpropan-2-amine
CID 62460409
N-(2-methoxypropyl)-2-methylpropan-2-amine
CID 62446177
2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]propan-2-amine
CID 66275746
2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
CID 112589153
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanehydrazide
CID 112590279
(2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol
CID 103939578
N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 170276142

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine (CID 112589746) is 2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine is CC(CNC(C)(C)C)OCCOC(C)(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine?
The InChIKey is CZDMDMLTDHFVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-11(10-14-12(2,3)4)15-8-9-16-13(5,6)7/h11,14H,8-10H2,1-7H3.
What are the key properties of 2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine?
2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine is sourced from PubChem (CID 112589746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).