1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol

C12H23NO — CID 106211303

IUPAC1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol
SMILESC#CCCCCNCC(C)(O)C(C)C
InChIInChI=1S/C12H23NO/c1-5-6-7-8-9-13-10-12(4,14)11(2)3/h1,11,13-14H,6-10H2,2-4H3
InChIKeySGTXKLLEKNRHTM-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.79
Rot. Bonds7

About 1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol

1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol (PubChem CID 106211303) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol
PubChem CID106211303
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol
SMILESC#CCCCCNCC(C)(O)C(C)C
InChIInChI=1S/C12H23NO/c1-5-6-7-8-9-13-10-12(4,14)11(2)3/h1,11,13-14H,6-10H2,2-4H3
InChIKeySGTXKLLEKNRHTM-UHFFFAOYSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.79
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 1-(hex-5-ynylamino)-2,3-dimethylbutan-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

2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol
CID 106221057
3-[(hex-5-ynylamino)methyl]pentan-3-ol
CID 106211950
N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine
CID 106211409
4-(hex-5-ynylamino)butan-2-ol
CID 106211383
1-(3-butoxypropylamino)-2,3-dimethylbutan-2-ol
CID 114447493
4-(hex-5-ynylamino)butan-1-ol
CID 106211716
(3R)-2,3-dimethylhex-5-yn-3-ol
CID 101411316
3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide
CID 114492987
4-(hex-5-ynylamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 106208691
2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide
CID 106211958
N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide
CID 114493669
N-[2-(2-methylpropoxy)ethyl]hex-5-yn-1-amine
CID 106211399

Frequently Asked Questions

What is the IUPAC name of 1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol (CID 106211303) is 1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol is C#CCCCCNCC(C)(O)C(C)C.
What is the InChIKey of 1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol?
The InChIKey is SGTXKLLEKNRHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-6-7-8-9-13-10-12(4,14)11(2)3/h1,11,13-14H,6-10H2,2-4H3.
What are the key properties of 1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol?
1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106211303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).