5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol

C18H32N2O — CID 106809636

IUPAC5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol
SMILESCCCCN(CCCC(CC)(CO)NC)c1ccccc1
InChIInChI=1S/C18H32N2O/c1-4-6-14-20(17-11-8-7-9-12-17)15-10-13-18(5-2,16-21)19-3/h7-9,11-12,19,21H,4-6,10,13-16H2,1-3H3
InChIKeyVLNLYHGBVDDTEU-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.43
Rot. Bonds11

About 5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol

5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol (PubChem CID 106809636) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol
PubChem CID106809636
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol
SMILESCCCCN(CCCC(CC)(CO)NC)c1ccccc1
InChIInChI=1S/C18H32N2O/c1-4-6-14-20(17-11-8-7-9-12-17)15-10-13-18(5-2,16-21)19-3/h7-9,11-12,19,21H,4-6,10,13-16H2,1-3H3
InChIKeyVLNLYHGBVDDTEU-UHFFFAOYSA-N
XLogP3.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 411277
2-{[4-(Aminomethyl)phenyl]amino}ethan-1-ol
CID 22693572
1-Amino-3-[methyl(phenyl)amino]propan-2-ol
CID 272579
1-Anilinohexan-2-ol
CID 354829
5-(4-Methylanilino)pentan-1-ol
CID 10511987
2-Anilinohexan-1-ol
CID 54547466
1-Benzyl-4-(phenylamino)piperidine-4-methanol
CID 3017230

Frequently Asked Questions

What is the IUPAC name of 5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol (CID 106809636) is 5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol is CCCCN(CCCC(CC)(CO)NC)c1ccccc1.
What is the InChIKey of 5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol?
The InChIKey is VLNLYHGBVDDTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-4-6-14-20(17-11-8-7-9-12-17)15-10-13-18(5-2,16-21)19-3/h7-9,11-12,19,21H,4-6,10,13-16H2,1-3H3.
What are the key properties of 5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol?
5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol has a molecular weight of 292.47 g/mol, XLogP of 3.43, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 106809636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).