2-(1-methoxypropan-2-yloxy)-N-[2-(1-methoxypropan-2-yloxy)propyl]propan-1-amine

C14H31NO4 — CID 57077818

IUPAC2-(1-methoxypropan-2-yloxy)-N-[2-(1-methoxypropan-2-yloxy)propyl]propan-1-amine
SMILESCOCC(C)OC(C)CNCC(C)OC(C)COC
InChIInChI=1S/C14H31NO4/c1-11(18-13(3)9-16-5)7-15-8-12(2)19-14(4)10-17-6/h11-15H,7-10H2,1-6H3
InChIKeyVZKUXTTWSWUIMQ-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.46
Rot. Bonds12

About 2-(1-methoxypropan-2-yloxy)-N-[2-(1-methoxypropan-2-yloxy)propyl]propan-1-amine

2-(1-methoxypropan-2-yloxy)-N-[2-(1-methoxypropan-2-yloxy)propyl]propan-1-amine (PubChem CID 57077818) has the molecular formula C14H31NO4 and a molecular weight of 277.40 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yloxy)-N-[2-(1-methoxypropan-2-yloxy)propyl]propan-1-amine.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yloxy)-N-[2-(1-methoxypropan-2-yloxy)propyl]propan-1-amine
PubChem CID57077818
Molecular FormulaC14H31NO4
Molecular Weight277.40 g/mol
Exact Mass277.23
IUPAC Name2-(1-methoxypropan-2-yloxy)-N-[2-(1-methoxypropan-2-yloxy)propyl]propan-1-amine
SMILESCOCC(C)OC(C)CNCC(C)OC(C)COC
InChIInChI=1S/C14H31NO4/c1-11(18-13(3)9-16-5)7-15-8-12(2)19-14(4)10-17-6/h11-15H,7-10H2,1-6H3
InChIKeyVZKUXTTWSWUIMQ-UHFFFAOYSA-N
XLogP1.46
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yloxy)-N-[2-(1-methoxypropan-2-yloxy)propyl]propan-1-amine?
The IUPAC name of 2-(1-methoxypropan-2-yloxy)-N-[2-(1-methoxypropan-2-yloxy)propyl]propan-1-amine (CID 57077818) is 2-(1-methoxypropan-2-yloxy)-N-[2-(1-methoxypropan-2-yloxy)propyl]propan-1-amine.
What is the SMILES notation for 2-(1-methoxypropan-2-yloxy)-N-[2-(1-methoxypropan-2-yloxy)propyl]propan-1-amine?
The canonical SMILES for 2-(1-methoxypropan-2-yloxy)-N-[2-(1-methoxypropan-2-yloxy)propyl]propan-1-amine is COCC(C)OC(C)CNCC(C)OC(C)COC.
What is the InChIKey of 2-(1-methoxypropan-2-yloxy)-N-[2-(1-methoxypropan-2-yloxy)propyl]propan-1-amine?
The InChIKey is VZKUXTTWSWUIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO4/c1-11(18-13(3)9-16-5)7-15-8-12(2)19-14(4)10-17-6/h11-15H,7-10H2,1-6H3.
What are the key properties of 2-(1-methoxypropan-2-yloxy)-N-[2-(1-methoxypropan-2-yloxy)propyl]propan-1-amine?
2-(1-methoxypropan-2-yloxy)-N-[2-(1-methoxypropan-2-yloxy)propyl]propan-1-amine has a molecular weight of 277.40 g/mol, XLogP of 1.46, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yloxy)-N-[2-(1-methoxypropan-2-yloxy)propyl]propan-1-amine is sourced from PubChem (CID 57077818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).