2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol

C11H21NO — CID 106221057

IUPAC2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol
SMILESC#CCCCNCC(C)(O)C(C)C
InChIInChI=1S/C11H21NO/c1-5-6-7-8-12-9-11(4,13)10(2)3/h1,10,12-13H,6-9H2,2-4H3
InChIKeyFXJJPMQRQVJYLX-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.40
Rot. Bonds6

About 2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol

2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol (PubChem CID 106221057) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol
PubChem CID106221057
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol
SMILESC#CCCCNCC(C)(O)C(C)C
InChIInChI=1S/C11H21NO/c1-5-6-7-8-12-9-11(4,13)10(2)3/h1,10,12-13H,6-9H2,2-4H3
InChIKeyFXJJPMQRQVJYLX-UHFFFAOYSA-N
XLogP1.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.40
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 2,3-dimethyl-1-(pent-4-ynylamino)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

1-(hex-5-ynylamino)-2,3-dimethylbutan-2-ol
CID 106211303
3-[(hex-5-ynylamino)methyl]pentan-3-ol
CID 106211950
1-(3-butoxypropylamino)-2,3-dimethylbutan-2-ol
CID 114447493
tert-butyl N-[3-(pent-4-ynylamino)propyl]carbamate
CID 107095077
(3R)-2,3-dimethylhex-5-yn-3-ol
CID 101411316
N-ethylpent-4-yn-1-amine
CID 12615597
3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide
CID 114492987
N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide
CID 114493669
N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine
CID 106211409
1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol
CID 114493226
4-(hex-5-ynylamino)butan-2-ol
CID 106211383
N-methyl-N'-pent-4-ynylpropane-1,3-diamine
CID 59962672

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol (CID 106221057) is 2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol is C#CCCCNCC(C)(O)C(C)C.
What is the InChIKey of 2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol?
The InChIKey is FXJJPMQRQVJYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-6-7-8-12-9-11(4,13)10(2)3/h1,10,12-13H,6-9H2,2-4H3.
What are the key properties of 2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol?
2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol has a molecular weight of 183.29 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol is sourced from PubChem (CID 106221057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).