6-(2-methylbut-3-yn-2-ylamino)hexan-1-ol

C11H21NO — CID 107703422

IUPAC6-(2-methylbut-3-yn-2-ylamino)hexan-1-ol
SMILESC#CC(C)(C)NCCCCCCO
InChIInChI=1S/C11H21NO/c1-4-11(2,3)12-9-7-5-6-8-10-13/h1,12-13H,5-10H2,2-3H3
InChIKeySCIIBUYRWTXOOI-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.54
Rot. Bonds7

About 6-(2-methylbut-3-yn-2-ylamino)hexan-1-ol

6-(2-methylbut-3-yn-2-ylamino)hexan-1-ol (PubChem CID 107703422) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 6-(2-methylbut-3-yn-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(2-methylbut-3-yn-2-ylamino)hexan-1-ol
PubChem CID107703422
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name6-(2-methylbut-3-yn-2-ylamino)hexan-1-ol
SMILESC#CC(C)(C)NCCCCCCO
InChIInChI=1S/C11H21NO/c1-4-11(2,3)12-9-7-5-6-8-10-13/h1,12-13H,5-10H2,2-3H3
InChIKeySCIIBUYRWTXOOI-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(2-methylbut-3-yn-2-ylamino)hexan-1-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

12-(tert-butylamino)dodecan-1-ol
CID 159274393
2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol
CID 103873312
N'-hydroxy-5-(2-methylbut-3-yn-2-ylamino)pentanimidamide
CID 77029735
2-(hydroxymethyl)-2-(5-hydroxypentylamino)propane-1,3-diol
CID 107852422
2,2-dimethyl-3-(2-methylbut-3-yn-2-ylamino)propan-1-ol
CID 81411464
4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile
CID 107851566
6-(2,2-dimethylpropylamino)hexan-1-ol
CID 115909001
2-ethyl-2-[(2-methylbut-3-yn-2-ylamino)methyl]butan-1-ol
CID 81419462
2-ethyl-2-(4-hydroxybutylamino)propane-1,3-diol
CID 107865357
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
5-[2-(4-chlorophenyl)propan-2-ylamino]pentan-1-ol
CID 111496341
1-(2-methylbut-3-yn-2-ylamino)propan-2-one;hydrochloride
CID 53444389

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbut-3-yn-2-ylamino)hexan-1-ol?
The IUPAC name of 6-(2-methylbut-3-yn-2-ylamino)hexan-1-ol (CID 107703422) is 6-(2-methylbut-3-yn-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-(2-methylbut-3-yn-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-(2-methylbut-3-yn-2-ylamino)hexan-1-ol is C#CC(C)(C)NCCCCCCO.
What is the InChIKey of 6-(2-methylbut-3-yn-2-ylamino)hexan-1-ol?
The InChIKey is SCIIBUYRWTXOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-11(2,3)12-9-7-5-6-8-10-13/h1,12-13H,5-10H2,2-3H3.
What are the key properties of 6-(2-methylbut-3-yn-2-ylamino)hexan-1-ol?
6-(2-methylbut-3-yn-2-ylamino)hexan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbut-3-yn-2-ylamino)hexan-1-ol is sourced from PubChem (CID 107703422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).