5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol

C17H30N2O — CID 64795890

IUPAC5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN(CC)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-4-13-18-17(3,15-20)12-9-14-19(5-2)16-10-7-6-8-11-16/h6-8,10-11,18,20H,4-5,9,12-15H2,1-3H3
InChIKeyQIMGURCVORTPOU-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.04
Rot. Bonds10

About 5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol

5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64795890) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64795890
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN(CC)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-4-13-18-17(3,15-20)12-9-14-19(5-2)16-10-7-6-8-11-16/h6-8,10-11,18,20H,4-5,9,12-15H2,1-3H3
InChIKeyQIMGURCVORTPOU-UHFFFAOYSA-N
XLogP3.04
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-5-(N-ethylanilino)-2-methylpentan-1-ol
CID 64796324
5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64828310
5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol
CID 64810841
4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol
CID 64811474
4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol
CID 64790380
5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64789948
3-(N-butylanilino)-2-methyl-2-(methylamino)propan-1-ol
CID 64810426
2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol
CID 64803943
5-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64790530
3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64810630
5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790325
2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol
CID 64789739

Frequently Asked Questions

What is the IUPAC name of 5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol (CID 64795890) is 5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CCCN(CC)c1ccccc1.
What is the InChIKey of 5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is QIMGURCVORTPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-13-18-17(3,15-20)12-9-14-19(5-2)16-10-7-6-8-11-16/h6-8,10-11,18,20H,4-5,9,12-15H2,1-3H3.
What are the key properties of 5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol?
5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 3.04, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64795890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).