3-methyl-N-(2-methylpropyl)-2-(2-propoxyethoxy)butan-1-amine

C14H31NO2 — CID 63684978

IUPAC3-methyl-N-(2-methylpropyl)-2-(2-propoxyethoxy)butan-1-amine
SMILESCCCOCCOC(CNCC(C)C)C(C)C
InChIInChI=1S/C14H31NO2/c1-6-7-16-8-9-17-14(13(4)5)11-15-10-12(2)3/h12-15H,6-11H2,1-5H3
InChIKeyQAPFDDHKVQUPGO-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.70
Rot. Bonds11

About 3-methyl-N-(2-methylpropyl)-2-(2-propoxyethoxy)butan-1-amine

3-methyl-N-(2-methylpropyl)-2-(2-propoxyethoxy)butan-1-amine (PubChem CID 63684978) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-2-(2-propoxyethoxy)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-2-(2-propoxyethoxy)butan-1-amine
PubChem CID63684978
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name3-methyl-N-(2-methylpropyl)-2-(2-propoxyethoxy)butan-1-amine
SMILESCCCOCCOC(CNCC(C)C)C(C)C
InChIInChI=1S/C14H31NO2/c1-6-7-16-8-9-17-14(13(4)5)11-15-10-12(2)3/h12-15H,6-11H2,1-5H3
InChIKeyQAPFDDHKVQUPGO-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.70
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

3-methyl-2-(2-propoxyethoxy)-N-propylbutan-1-amine
CID 63685150
N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutan-1-amine
CID 104566729
N-ethyl-3-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
CID 106450140
2-methyl-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 79568932
2-methyl-N-[3-(2-propoxyethoxy)propyl]propan-1-amine
CID 63684721
N-ethyl-2-(2-methoxyethoxy)-3-methylbutan-1-amine
CID 62455982
2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-(2-propoxyethoxy)ethoxy]propane
CID 162194347
1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane
CID 130291288
2-methyl-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propan-1-amine
CID 146640685
N-methyl-2-(2-propoxyethoxy)propan-1-amine
CID 63685331
2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62457054
3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 115002619

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-2-(2-propoxyethoxy)butan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-2-(2-propoxyethoxy)butan-1-amine (CID 63684978) is 3-methyl-N-(2-methylpropyl)-2-(2-propoxyethoxy)butan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-2-(2-propoxyethoxy)butan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-2-(2-propoxyethoxy)butan-1-amine is CCCOCCOC(CNCC(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-2-(2-propoxyethoxy)butan-1-amine?
The InChIKey is QAPFDDHKVQUPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-6-7-16-8-9-17-14(13(4)5)11-15-10-12(2)3/h12-15H,6-11H2,1-5H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)-2-(2-propoxyethoxy)butan-1-amine?
3-methyl-N-(2-methylpropyl)-2-(2-propoxyethoxy)butan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 2.70, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-2-(2-propoxyethoxy)butan-1-amine is sourced from PubChem (CID 63684978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).