4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol

C17H30N2O — CID 64811474

IUPAC4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol
SMILESCCCCN(CCC(C)(CO)NCC)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-4-6-13-19(16-10-8-7-9-11-16)14-12-17(3,15-20)18-5-2/h7-11,18,20H,4-6,12-15H2,1-3H3
InChIKeyDCGVZPFHENQHHM-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.04
Rot. Bonds10

About 4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol

4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol (PubChem CID 64811474) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol
PubChem CID64811474
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol
SMILESCCCCN(CCC(C)(CO)NCC)c1ccccc1
InChIInChI=1S/C17H30N2O/c1-4-6-13-19(16-10-8-7-9-11-16)14-12-17(3,15-20)18-5-2/h7-11,18,20H,4-6,12-15H2,1-3H3
InChIKeyDCGVZPFHENQHHM-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

5-(N-butylanilino)-2-(ethylamino)-2-methylpentan-1-ol
CID 64810841
2-(ethylamino)-5-(N-ethylanilino)-2-methylpentan-1-ol
CID 64796324
3-(N-butylanilino)-2-methyl-2-(methylamino)propan-1-ol
CID 64810426
5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64795890
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
2-(ethylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butan-1-ol
CID 65486202
methyl 4-(N-butylanilino)-2-methyl-2-(methylamino)butanoate
CID 64586012
4-(N-butylanilino)-2,2-dimethylbutanimidamide
CID 65252661
N-heptyl-N-pentylaniline
CID 154378615

Frequently Asked Questions

What is the IUPAC name of 4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol?
The IUPAC name of 4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol (CID 64811474) is 4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol is CCCCN(CCC(C)(CO)NCC)c1ccccc1.
What is the InChIKey of 4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol?
The InChIKey is DCGVZPFHENQHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-6-13-19(16-10-8-7-9-11-16)14-12-17(3,15-20)18-5-2/h7-11,18,20H,4-6,12-15H2,1-3H3.
What are the key properties of 4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol?
4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-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 4-(N-butylanilino)-2-(ethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 64811474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).