N-butylbutan-1-amine;ethanol;2,2,6,6-tetramethylpiperidin-4-ol

C19H44N2O2 — CID 174840743

IUPACN-butylbutan-1-amine;ethanol;2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1.CCCCNCCCC.CCO
InChIInChI=1S/C9H19NO.C8H19N.C2H6O/c1-8(2)5-7(11)6-9(3,4)10-8;1-3-5-7-9-8-6-4-2;1-2-3/h7,10-11H,5-6H2,1-4H3;9H,3-8H2,1-2H3;3H,2H2,1H3
InChIKeyYDHCRDPOVVKKBW-UHFFFAOYSA-N
MW332.57 g/mol
LogP3.46
Rot. Bonds6

About N-butylbutan-1-amine;ethanol;2,2,6,6-tetramethylpiperidin-4-ol

N-butylbutan-1-amine;ethanol;2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 174840743) has the molecular formula C19H44N2O2 and a molecular weight of 332.57 g/mol. Its IUPAC name is N-butylbutan-1-amine;ethanol;2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound NameN-butylbutan-1-amine;ethanol;2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID174840743
Molecular FormulaC19H44N2O2
Molecular Weight332.57 g/mol
Exact Mass332.34
IUPAC NameN-butylbutan-1-amine;ethanol;2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1.CCCCNCCCC.CCO
InChIInChI=1S/C9H19NO.C8H19N.C2H6O/c1-8(2)5-7(11)6-9(3,4)10-8;1-3-5-7-9-8-6-4-2;1-2-3/h7,10-11H,5-6H2,1-4H3;9H,3-8H2,1-2H3;3H,2H2,1H3
InChIKeyYDHCRDPOVVKKBW-UHFFFAOYSA-N
XLogP3.46
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.57
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol
CID 174733730
ethoxyethane;2,2,6,6-tetramethylpiperidin-4-ol
CID 70484371
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 68740612
butane-1,2,3,4-tetracarboxylic acid;2,2,6,6-tetramethylpiperidin-4-ol;tridecan-1-ol
CID 68630296
N-butylbutan-1-amine;propan-1-ol
CID 174657089
3-butyl-3-methylcyclobutan-1-ol
CID 123195778
nitrous acid;2,2,6,6-tetramethylpiperidin-4-ol
CID 160812062
N-butyl-2,2,7,7-tetramethylazepan-4-amine
CID 138568123
N-[1-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]tetradecan-1-amine
CID 141405749
2,2,6,6-tetramethylpiperidin-4-ol;1,4-xylene
CID 159783598
N-butylbutan-1-amine;hydrochloride
CID 3083954
3-methyl-3-propylcyclobutan-1-ol
CID 176695385

Frequently Asked Questions

What is the IUPAC name of N-butylbutan-1-amine;ethanol;2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of N-butylbutan-1-amine;ethanol;2,2,6,6-tetramethylpiperidin-4-ol (CID 174840743) is N-butylbutan-1-amine;ethanol;2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for N-butylbutan-1-amine;ethanol;2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for N-butylbutan-1-amine;ethanol;2,2,6,6-tetramethylpiperidin-4-ol is CC1(C)CC(O)CC(C)(C)N1.CCCCNCCCC.CCO.
What is the InChIKey of N-butylbutan-1-amine;ethanol;2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is YDHCRDPOVVKKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C8H19N.C2H6O/c1-8(2)5-7(11)6-9(3,4)10-8;1-3-5-7-9-8-6-4-2;1-2-3/h7,10-11H,5-6H2,1-4H3;9H,3-8H2,1-2H3;3H,2H2,1H3.
What are the key properties of N-butylbutan-1-amine;ethanol;2,2,6,6-tetramethylpiperidin-4-ol?
N-butylbutan-1-amine;ethanol;2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 332.57 g/mol, XLogP of 3.46, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylbutan-1-amine;ethanol;2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 174840743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).