1-[hexyl(2-hydroxybutyl)amino]butan-2-ol

C14H31NO2 — CID 23423731

IUPAC1-[hexyl(2-hydroxybutyl)amino]butan-2-ol
SMILESCCCCCCN(CC(O)CC)CC(O)CC
InChIInChI=1S/C14H31NO2/c1-4-7-8-9-10-15(11-13(16)5-2)12-14(17)6-3/h13-14,16-17H,4-12H2,1-3H3
InChIKeyBKSBKQVZASYDAZ-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.41
Rot. Bonds11

About 1-[hexyl(2-hydroxybutyl)amino]butan-2-ol

1-[hexyl(2-hydroxybutyl)amino]butan-2-ol (PubChem CID 23423731) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[hexyl(2-hydroxybutyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[hexyl(2-hydroxybutyl)amino]butan-2-ol
PubChem CID23423731
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name1-[hexyl(2-hydroxybutyl)amino]butan-2-ol
SMILESCCCCCCN(CC(O)CC)CC(O)CC
InChIInChI=1S/C14H31NO2/c1-4-7-8-9-10-15(11-13(16)5-2)12-14(17)6-3/h13-14,16-17H,4-12H2,1-3H3
InChIKeyBKSBKQVZASYDAZ-UHFFFAOYSA-N
XLogP2.41
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[hexyl(2-hydroxybutyl)amino]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Triisopropanolamine
CID 24730
2-Propanol, 1,1'-[(2-hydroxyethyl)imino]bis-
CID 66315
1-Dibutylaminopropan-2-ol
CID 294557
5-Diethylamino-2-pentanol
CID 95388
alpha-Methyl-1-piperidineethanol
CID 233605
1-[Butyl(2-hydroxypropyl)amino]propan-2-ol
CID 588959
N-Caprylyldiethanolamine
CID 84963
1,1'-(Tetradecylimino)dipropan-2-ol
CID 92614
2-Propanol, 1,1'-(dodecylimino)bis-
CID 102645
Ethanol, 2,2'-(hexylimino)bis-
CID 81229
Hexahydro-alpha-methyl-1H-azepine-1-ethanol
CID 99002
2-Propanol, 1,1'-(octylimino)bis-
CID 119970

Frequently Asked Questions

What is the IUPAC name of 1-[hexyl(2-hydroxybutyl)amino]butan-2-ol?
The IUPAC name of 1-[hexyl(2-hydroxybutyl)amino]butan-2-ol (CID 23423731) is 1-[hexyl(2-hydroxybutyl)amino]butan-2-ol.
What is the SMILES notation for 1-[hexyl(2-hydroxybutyl)amino]butan-2-ol?
The canonical SMILES for 1-[hexyl(2-hydroxybutyl)amino]butan-2-ol is CCCCCCN(CC(O)CC)CC(O)CC.
What is the InChIKey of 1-[hexyl(2-hydroxybutyl)amino]butan-2-ol?
The InChIKey is BKSBKQVZASYDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-4-7-8-9-10-15(11-13(16)5-2)12-14(17)6-3/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of 1-[hexyl(2-hydroxybutyl)amino]butan-2-ol?
1-[hexyl(2-hydroxybutyl)amino]butan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 2.41, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hexyl(2-hydroxybutyl)amino]butan-2-ol is sourced from PubChem (CID 23423731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).