4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol

C12H27NO3 — CID 64808677

IUPAC4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCOC(C)COC
InChIInChI=1S/C12H27NO3/c1-5-7-13-12(3,10-14)6-8-16-11(2)9-15-4/h11,13-14H,5-10H2,1-4H3
InChIKeyWUGLRTCOWDQIJQ-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.18
Rot. Bonds10

About 4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol

4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol (PubChem CID 64808677) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol
PubChem CID64808677
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCOC(C)COC
InChIInChI=1S/C12H27NO3/c1-5-7-13-12(3,10-14)6-8-16-11(2)9-15-4/h11,13-14H,5-10H2,1-4H3
InChIKeyWUGLRTCOWDQIJQ-UHFFFAOYSA-N
XLogP1.18
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol
CID 64809585
4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64810828
4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol
CID 82009789
4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol
CID 103181446
5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811392
2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol
CID 64802775
2-methyl-4-octoxy-2-(propylamino)pentan-1-ol
CID 64809987
2-(ethylamino)-2-methyl-4-propan-2-yloxybutan-1-ol
CID 64803827
2-methyl-3-propan-2-yloxy-2-(propylamino)propan-1-ol
CID 64804252
4-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)butan-1-ol
CID 64805507
3-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propylamino)propan-1-ol
CID 104567766
6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64806971

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol (CID 64808677) is 4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol is CCCNC(C)(CO)CCOC(C)COC.
What is the InChIKey of 4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol?
The InChIKey is WUGLRTCOWDQIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-5-7-13-12(3,10-14)6-8-16-11(2)9-15-4/h11,13-14H,5-10H2,1-4H3.
What are the key properties of 4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol?
4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 1.18, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64808677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).