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

5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol
CID 64810841
3-(N-butylanilino)-2-methyl-2-(methylamino)propan-1-ol
CID 64810426
4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol
CID 64811474
N,N-dibutylaniline;perchloric acid
CID 71443116
methyl 4-(N-butylanilino)-2-methyl-2-(methylamino)butanoate
CID 64586012
1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine
CID 64586766
2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol
CID 106811106
2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol
CID 106810358
N'-butyl-N-methyl-N'-phenylpentane-1,5-diamine
CID 64584472
N'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine
CID 64586415
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-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).