2-amino-3-methylpent-4-yn-1-ol

C6H11NO — CID 123553773

IUPAC2-amino-3-methylpent-4-yn-1-ol
SMILESC#CC(C)C(N)CO
InChIInChI=1S/C6H11NO/c1-3-5(2)6(7)4-8/h1,5-6,8H,4,7H2,2H3
InChIKeyNHYCVSHFYPPCNM-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.42
Rot. Bonds2

About 2-amino-3-methylpent-4-yn-1-ol

2-amino-3-methylpent-4-yn-1-ol (PubChem CID 123553773) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-amino-3-methylpent-4-yn-1-ol.

Molecular Properties

Compound Name2-amino-3-methylpent-4-yn-1-ol
PubChem CID123553773
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-amino-3-methylpent-4-yn-1-ol
SMILESC#CC(C)C(N)CO
InChIInChI=1S/C6H11NO/c1-3-5(2)6(7)4-8/h1,5-6,8H,4,7H2,2H3
InChIKeyNHYCVSHFYPPCNM-UHFFFAOYSA-N
XLogP-0.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2-aminopent-4-yne-1,3-diol
CID 146631040
(2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol
CID 87115699
2-aminopropan-1-ol;hydrofluoride
CID 22617394
(2S)-2-amino-3-sulfanylbutan-1-ol
CID 151475591
2-amino-3-methylpent-4-ynoic acid
CID 554129
2-amino-3-(methylamino)butan-1-ol
CID 21416499
(1S,2S)-2-amino-1-methoxypropane-1,3-diol
CID 174342165
1-methoxypropan-2-amine;prop-2-yn-1-ol
CID 145189711
(2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol
CID 42632354
(2R)-2-amino-3-ethylpentan-1-ol;hydrochloride
CID 176655743
(2S)-2-amino-3-propylhexan-1-ol
CID 154703433
(2S,3R)-2-aminopentane-1,3-diol
CID 44561573

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylpent-4-yn-1-ol?
The IUPAC name of 2-amino-3-methylpent-4-yn-1-ol (CID 123553773) is 2-amino-3-methylpent-4-yn-1-ol.
What is the SMILES notation for 2-amino-3-methylpent-4-yn-1-ol?
The canonical SMILES for 2-amino-3-methylpent-4-yn-1-ol is C#CC(C)C(N)CO.
What is the InChIKey of 2-amino-3-methylpent-4-yn-1-ol?
The InChIKey is NHYCVSHFYPPCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-5(2)6(7)4-8/h1,5-6,8H,4,7H2,2H3.
What are the key properties of 2-amino-3-methylpent-4-yn-1-ol?
2-amino-3-methylpent-4-yn-1-ol has a molecular weight of 113.16 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylpent-4-yn-1-ol is sourced from PubChem (CID 123553773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).