3-methoxy-N-methyl-2-(4-methylpentoxy)propan-1-amine

C11H25NO2 — CID 103227898

IUPAC3-methoxy-N-methyl-2-(4-methylpentoxy)propan-1-amine
SMILESCNCC(COC)OCCCC(C)C
InChIInChI=1S/C11H25NO2/c1-10(2)6-5-7-14-11(8-12-3)9-13-4/h10-12H,5-9H2,1-4H3
InChIKeyKNXNGHYLALMYIH-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.67
Rot. Bonds9

About 3-methoxy-N-methyl-2-(4-methylpentoxy)propan-1-amine

3-methoxy-N-methyl-2-(4-methylpentoxy)propan-1-amine (PubChem CID 103227898) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-methoxy-N-methyl-2-(4-methylpentoxy)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-2-(4-methylpentoxy)propan-1-amine
PubChem CID103227898
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name3-methoxy-N-methyl-2-(4-methylpentoxy)propan-1-amine
SMILESCNCC(COC)OCCCC(C)C
InChIInChI=1S/C11H25NO2/c1-10(2)6-5-7-14-11(8-12-3)9-13-4/h10-12H,5-9H2,1-4H3
InChIKeyKNXNGHYLALMYIH-UHFFFAOYSA-N
XLogP1.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.67
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-(4-methylpentoxy)propane-1,3-diol
CID 141356566
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane
CID 158254668
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine
CID 103229034
2,3-didodecoxy-N-methylpropan-1-amine
CID 170032981
1-methoxy-4,8-dimethylnonane
CID 90974533
2-(cyclopentylmethoxy)-3-methoxy-N-methylpropan-1-amine
CID 103228841
2-hexoxy-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103227914
N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
CID 106449827
3-methoxy-N-methyl-2-phenylmethoxypropan-1-amine
CID 103227745
1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol
CID 82723139
1-(17-methyloctadecoxy)ethanol
CID 87458732
N-ethyl-3-methoxy-2-pentoxypropan-1-amine
CID 103228001

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-2-(4-methylpentoxy)propan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-2-(4-methylpentoxy)propan-1-amine (CID 103227898) is 3-methoxy-N-methyl-2-(4-methylpentoxy)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-2-(4-methylpentoxy)propan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-2-(4-methylpentoxy)propan-1-amine is CNCC(COC)OCCCC(C)C.
What is the InChIKey of 3-methoxy-N-methyl-2-(4-methylpentoxy)propan-1-amine?
The InChIKey is KNXNGHYLALMYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-10(2)6-5-7-14-11(8-12-3)9-13-4/h10-12H,5-9H2,1-4H3.
What are the key properties of 3-methoxy-N-methyl-2-(4-methylpentoxy)propan-1-amine?
3-methoxy-N-methyl-2-(4-methylpentoxy)propan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 1.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-2-(4-methylpentoxy)propan-1-amine is sourced from PubChem (CID 103227898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).