N-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine

C12H27NO2 — CID 106447296

IUPACN-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine
SMILESCCCC(COCCOCC(C)C)NC
InChIInChI=1S/C12H27NO2/c1-5-6-12(13-4)10-15-8-7-14-9-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyUMSRYRJJLCYFMM-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.06
Rot. Bonds10

About N-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine

N-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine (PubChem CID 106447296) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine
PubChem CID106447296
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine
SMILESCCCC(COCCOCC(C)C)NC
InChIInChI=1S/C12H27NO2/c1-5-6-12(13-4)10-15-8-7-14-9-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyUMSRYRJJLCYFMM-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.06
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-methyl-1-(2-methylpropoxy)pentan-2-amine
CID 62044307
3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol
CID 106447159
N-methyl-1-[4-(methylamino)butoxy]pentan-2-amine
CID 88915245
1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine
CID 106452067
5-methoxy-N-methyl-1-propoxyhexan-2-amine
CID 105165354
N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine
CID 106454538
1-methoxy-N-methyl-3-(2-propoxyethoxy)propan-2-amine
CID 107506859
1-ethoxy-N-methyl-3-propoxypropan-2-amine
CID 79574489
N-methyl-1-propoxyhex-5-yn-2-amine
CID 63655883
N-ethyl-1-(2-propan-2-yloxyethoxy)pentan-2-amine
CID 62042339
1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine
CID 176738271
4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol
CID 64899711

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine?
The IUPAC name of N-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine (CID 106447296) is N-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine.
What is the SMILES notation for N-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine?
The canonical SMILES for N-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine is CCCC(COCCOCC(C)C)NC.
What is the InChIKey of N-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine?
The InChIKey is UMSRYRJJLCYFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-6-12(13-4)10-15-8-7-14-9-11(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of N-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine?
N-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylpropoxy)ethoxy]pentan-2-amine is sourced from PubChem (CID 106447296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).