1-[(1-hydroxy-2-methylpropyl)amino]decan-2-ol

C14H31NO2 — CID 57282042

IUPAC1-[(1-hydroxy-2-methylpropyl)amino]decan-2-ol
SMILESCCCCCCCCC(O)CNC(O)C(C)C
InChIInChI=1S/C14H31NO2/c1-4-5-6-7-8-9-10-13(16)11-15-14(17)12(2)3/h12-17H,4-11H2,1-3H3
InChIKeyGXTZAGJXBOCNRV-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.66
Rot. Bonds11

About 1-[(1-hydroxy-2-methylpropyl)amino]decan-2-ol

1-[(1-hydroxy-2-methylpropyl)amino]decan-2-ol (PubChem CID 57282042) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[(1-hydroxy-2-methylpropyl)amino]decan-2-ol.

Molecular Properties

Compound Name1-[(1-hydroxy-2-methylpropyl)amino]decan-2-ol
PubChem CID57282042
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name1-[(1-hydroxy-2-methylpropyl)amino]decan-2-ol
SMILESCCCCCCCCC(O)CNC(O)C(C)C
InChIInChI=1S/C14H31NO2/c1-4-5-6-7-8-9-10-13(16)11-15-14(17)12(2)3/h12-17H,4-11H2,1-3H3
InChIKeyGXTZAGJXBOCNRV-UHFFFAOYSA-N
XLogP2.66
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[(1-hydroxy-2-methylpropyl)amino]decan-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

1-(2-hydroxyoctadecylamino)octadecan-2-ol
CID 87182048
1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol
CID 21332381
1-(1-aminopropylamino)octan-2-ol
CID 140711640
1-(methylamino)tetradecan-2-ol
CID 18332301
1-(ethylamino)octan-2-ol
CID 62774096
(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
CID 25129899
tetratetracontan-22-ol
CID 91434437
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-2-methylpropyl)amino]decan-2-ol?
The IUPAC name of 1-[(1-hydroxy-2-methylpropyl)amino]decan-2-ol (CID 57282042) is 1-[(1-hydroxy-2-methylpropyl)amino]decan-2-ol.
What is the SMILES notation for 1-[(1-hydroxy-2-methylpropyl)amino]decan-2-ol?
The canonical SMILES for 1-[(1-hydroxy-2-methylpropyl)amino]decan-2-ol is CCCCCCCCC(O)CNC(O)C(C)C.
What is the InChIKey of 1-[(1-hydroxy-2-methylpropyl)amino]decan-2-ol?
The InChIKey is GXTZAGJXBOCNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-4-5-6-7-8-9-10-13(16)11-15-14(17)12(2)3/h12-17H,4-11H2,1-3H3.
What are the key properties of 1-[(1-hydroxy-2-methylpropyl)amino]decan-2-ol?
1-[(1-hydroxy-2-methylpropyl)amino]decan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 2.66, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-2-methylpropyl)amino]decan-2-ol is sourced from PubChem (CID 57282042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).