3-methoxy-N-(2-pentan-2-yloxyethyl)-N-propan-2-ylpropan-1-amine

C14H31NO2 — CID 170083600

IUPAC3-methoxy-N-(2-pentan-2-yloxyethyl)-N-propan-2-ylpropan-1-amine
SMILESCCCC(C)OCCN(CCCOC)C(C)C
InChIInChI=1S/C14H31NO2/c1-6-8-14(4)17-12-10-15(13(2)3)9-7-11-16-5/h13-14H,6-12H2,1-5H3
InChIKeyQTZKEEBBNAYRLM-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.94
Rot. Bonds11

About 3-methoxy-N-(2-pentan-2-yloxyethyl)-N-propan-2-ylpropan-1-amine

3-methoxy-N-(2-pentan-2-yloxyethyl)-N-propan-2-ylpropan-1-amine (PubChem CID 170083600) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-methoxy-N-(2-pentan-2-yloxyethyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(2-pentan-2-yloxyethyl)-N-propan-2-ylpropan-1-amine
PubChem CID170083600
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name3-methoxy-N-(2-pentan-2-yloxyethyl)-N-propan-2-ylpropan-1-amine
SMILESCCCC(C)OCCN(CCCOC)C(C)C
InChIInChI=1S/C14H31NO2/c1-6-8-14(4)17-12-10-15(13(2)3)9-7-11-16-5/h13-14H,6-12H2,1-5H3
InChIKeyQTZKEEBBNAYRLM-UHFFFAOYSA-N
XLogP2.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-pentan-2-yloxyethyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-methoxy-N-(2-pentan-2-yloxyethyl)-N-propan-2-ylpropan-1-amine (CID 170083600) is 3-methoxy-N-(2-pentan-2-yloxyethyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-methoxy-N-(2-pentan-2-yloxyethyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-methoxy-N-(2-pentan-2-yloxyethyl)-N-propan-2-ylpropan-1-amine is CCCC(C)OCCN(CCCOC)C(C)C.
What is the InChIKey of 3-methoxy-N-(2-pentan-2-yloxyethyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is QTZKEEBBNAYRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-6-8-14(4)17-12-10-15(13(2)3)9-7-11-16-5/h13-14H,6-12H2,1-5H3.
What are the key properties of 3-methoxy-N-(2-pentan-2-yloxyethyl)-N-propan-2-ylpropan-1-amine?
3-methoxy-N-(2-pentan-2-yloxyethyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 2.94, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-pentan-2-yloxyethyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 170083600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).