1-methoxy-3-pentan-2-yloxy-N-propylpropan-2-amine

C12H27NO2 — CID 107506976

IUPAC1-methoxy-3-pentan-2-yloxy-N-propylpropan-2-amine
SMILESCCCNC(COC)COC(C)CCC
InChIInChI=1S/C12H27NO2/c1-5-7-11(3)15-10-12(9-14-4)13-8-6-2/h11-13H,5-10H2,1-4H3
InChIKeyKNFUCCBPFCMDOV-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.21
Rot. Bonds10

About 1-methoxy-3-pentan-2-yloxy-N-propylpropan-2-amine

1-methoxy-3-pentan-2-yloxy-N-propylpropan-2-amine (PubChem CID 107506976) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-methoxy-3-pentan-2-yloxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-pentan-2-yloxy-N-propylpropan-2-amine
PubChem CID107506976
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-methoxy-3-pentan-2-yloxy-N-propylpropan-2-amine
SMILESCCCNC(COC)COC(C)CCC
InChIInChI=1S/C12H27NO2/c1-5-7-11(3)15-10-12(9-14-4)13-8-6-2/h11-13H,5-10H2,1-4H3
InChIKeyKNFUCCBPFCMDOV-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-amine
CID 107506869
1-methoxy-N-propylhexan-3-amine
CID 61412304
1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine
CID 106452067
1-methoxy-N-(4-methoxybutyl)pentan-2-amine
CID 104647445
3-methoxy-1-N-methyl-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505365
3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol
CID 64802796
1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine
CID 106727271
1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505371
3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 107505564
1-methoxy-2,7-dimethyl-N-propyloct-7-en-4-amine
CID 105182583
1-methoxy-3-(3-methylbutan-2-ylsulfinyl)-N-propylpropan-2-amine
CID 107759512
3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol
CID 107772434

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-pentan-2-yloxy-N-propylpropan-2-amine?
The IUPAC name of 1-methoxy-3-pentan-2-yloxy-N-propylpropan-2-amine (CID 107506976) is 1-methoxy-3-pentan-2-yloxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-methoxy-3-pentan-2-yloxy-N-propylpropan-2-amine?
The canonical SMILES for 1-methoxy-3-pentan-2-yloxy-N-propylpropan-2-amine is CCCNC(COC)COC(C)CCC.
What is the InChIKey of 1-methoxy-3-pentan-2-yloxy-N-propylpropan-2-amine?
The InChIKey is KNFUCCBPFCMDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-7-11(3)15-10-12(9-14-4)13-8-6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-methoxy-3-pentan-2-yloxy-N-propylpropan-2-amine?
1-methoxy-3-pentan-2-yloxy-N-propylpropan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-pentan-2-yloxy-N-propylpropan-2-amine is sourced from PubChem (CID 107506976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).