2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol

C18H38N2O — CID 106809860

IUPAC2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCN1CCCCCC1CC
InChIInChI=1S/C18H38N2O/c1-4-13-19-18(6-3,16-21)12-10-15-20-14-9-7-8-11-17(20)5-2/h17,19,21H,4-16H2,1-3H3
InChIKeyXRBOPVMMJIGAOL-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.56
Rot. Bonds10

About 2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol

2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol (PubChem CID 106809860) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol
PubChem CID106809860
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCN1CCCCCC1CC
InChIInChI=1S/C18H38N2O/c1-4-13-19-18(6-3,16-21)12-10-15-20-14-9-7-8-11-17(20)5-2/h17,19,21H,4-16H2,1-3H3
InChIKeyXRBOPVMMJIGAOL-UHFFFAOYSA-N
XLogP3.56
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-(2-ethylpiperidin-1-yl)-2-(propylamino)pentan-1-ol
CID 106809191
2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propylamino)pentan-1-ol
CID 106808975
2-ethyl-5-(2-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol
CID 106809858
2-ethyl-5-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809193
2-ethyl-5-(3-ethylmorpholin-4-yl)-2-(propylamino)pentan-1-ol
CID 106809313
5-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790781
2-(cyclopropylamino)-2-ethyl-5-(2-propylpiperidin-1-yl)pentan-1-ol
CID 106809824
5-(2,4-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808652
5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106808690
N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine
CID 104689524
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106809795
2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol
CID 104692730

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol?
The IUPAC name of 2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol (CID 106809860) is 2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol?
The canonical SMILES for 2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol is CCCNC(CC)(CO)CCCN1CCCCCC1CC.
What is the InChIKey of 2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol?
The InChIKey is XRBOPVMMJIGAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-4-13-19-18(6-3,16-21)12-10-15-20-14-9-7-8-11-17(20)5-2/h17,19,21H,4-16H2,1-3H3.
What are the key properties of 2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol?
2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol has a molecular weight of 298.51 g/mol, XLogP of 3.56, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 106809860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).