1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol

C15H31NO2 — CID 62077210

IUPAC1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol
SMILESCCCC1CCCN(CC(O)COC(C)C)CC1
InChIInChI=1S/C15H31NO2/c1-4-6-14-7-5-9-16(10-8-14)11-15(17)12-18-13(2)3/h13-15,17H,4-12H2,1-3H3
InChIKeyOMWDNITVVRJDNY-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.67
Rot. Bonds7

About 1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol

1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol (PubChem CID 62077210) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol
PubChem CID62077210
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol
SMILESCCCC1CCCN(CC(O)COC(C)C)CC1
InChIInChI=1S/C15H31NO2/c1-4-6-14-7-5-9-16(10-8-14)11-15(17)12-18-13(2)3/h13-15,17H,4-12H2,1-3H3
InChIKeyOMWDNITVVRJDNY-UHFFFAOYSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63987820
3-hydroxy-4-(4-propylazepan-1-yl)butanoic acid
CID 82771064
1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 110932791
1-cyclopentyl-2-(4-propylpiperidin-1-yl)ethanol
CID 104752787
3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid
CID 63988655
1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63987782
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63989069
1-(4-piperidin-1-ylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 60966443
1-amino-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 62200170
1-ethoxy-3-[4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-diazepan-1-yl]propan-2-ol
CID 86763990
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol
CID 62205780
1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63950586

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol (CID 62077210) is 1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol is CCCC1CCCN(CC(O)COC(C)C)CC1.
What is the InChIKey of 1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol?
The InChIKey is OMWDNITVVRJDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-4-6-14-7-5-9-16(10-8-14)11-15(17)12-18-13(2)3/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol?
1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol is sourced from PubChem (CID 62077210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).