4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol

C18H32N2O — CID 64790376

IUPAC4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)N(CC)c1ccccc1C
InChIInChI=1S/C18H32N2O/c1-6-12-19-18(5,14-21)13-16(4)20(7-2)17-11-9-8-10-15(17)3/h8-11,16,19,21H,6-7,12-14H2,1-5H3
InChIKeyYXTVSSIWDARFFN-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.35
Rot. Bonds9

About 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol

4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64790376) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64790376
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)N(CC)c1ccccc1C
InChIInChI=1S/C18H32N2O/c1-6-12-19-18(5,14-21)13-16(4)20(7-2)17-11-9-8-10-15(17)3/h8-11,16,19,21H,6-7,12-14H2,1-5H3
InChIKeyYXTVSSIWDARFFN-UHFFFAOYSA-N
XLogP3.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol (CID 64790376) is 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CC(C)N(CC)c1ccccc1C.
What is the InChIKey of 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is YXTVSSIWDARFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-12-19-18(5,14-21)13-16(4)20(7-2)17-11-9-8-10-15(17)3/h8-11,16,19,21H,6-7,12-14H2,1-5H3.
What are the key properties of 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol?
4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 292.47 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64790376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).