N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine

C10H23NO2 — CID 112587414

IUPACN-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
SMILESCNCCCOCCOC(C)(C)C
InChIInChI=1S/C10H23NO2/c1-10(2,3)13-9-8-12-7-5-6-11-4/h11H,5-9H2,1-4H3
InChIKeyYLZRXGZWINADOI-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.43
Rot. Bonds7

About N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine

N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine (PubChem CID 112587414) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
PubChem CID112587414
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC NameN-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
SMILESCNCCCOCCOC(C)(C)C
InChIInChI=1S/C10H23NO2/c1-10(2,3)13-9-8-12-7-5-6-11-4/h11H,5-9H2,1-4H3
InChIKeyYLZRXGZWINADOI-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.43
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-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
CID 112587431
2-methyl-N-[2-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propoxy]ethoxy]ethyl]propan-2-amine
CID 126654287
2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine
CID 112587455
1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane
CID 134553508
N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclohexanamine
CID 112590092
N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine
CID 112589971
ethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine
CID 176551886
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane
CID 164583744
5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 112590039
N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956013
2,2-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134553502

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine?
The IUPAC name of N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine (CID 112587414) is N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine.
What is the SMILES notation for N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine?
The canonical SMILES for N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine is CNCCCOCCOC(C)(C)C.
What is the InChIKey of N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine?
The InChIKey is YLZRXGZWINADOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-10(2,3)13-9-8-12-7-5-6-11-4/h11H,5-9H2,1-4H3.
What are the key properties of N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine?
N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine is sourced from PubChem (CID 112587414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).