5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol

C18H32N2O — CID 64810841

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

About 5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol

5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol (PubChem CID 64810841) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol
PubChem CID64810841
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCCCN(CCCC(C)(CO)NCC)c1ccccc1
InChIInChI=1S/C18H32N2O/c1-4-6-14-20(17-11-8-7-9-12-17)15-10-13-18(3,16-21)19-5-2/h7-9,11-12,19,21H,4-6,10,13-16H2,1-3H3
InChIKeyORDCXOXKOCHBIY-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

4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol
CID 64811474
2-(ethylamino)-5-(N-ethylanilino)-2-methylpentan-1-ol
CID 64796324
5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64795890
3-(N-butylanilino)-2-methyl-2-(methylamino)propan-1-ol
CID 64810426
3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64810630
5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106809636
N,N-dibutylaniline;perchloric acid
CID 71443116
N'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine
CID 64586415
5-(N-butylanilino)-2,2-dimethylpentanimidamide
CID 65258340
5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64828310
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615

Frequently Asked Questions

What is the IUPAC name of 5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol?
The IUPAC name of 5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol (CID 64810841) is 5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol?
The canonical SMILES for 5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol is CCCCN(CCCC(C)(CO)NCC)c1ccccc1.
What is the InChIKey of 5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol?
The InChIKey is ORDCXOXKOCHBIY-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(3,16-21)19-5-2/h7-9,11-12,19,21H,4-6,10,13-16H2,1-3H3.
What are the key properties of 5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol?
5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-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-(ethylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 64810841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).