4-(but-2-ynylamino)-3,3-dimethylbutan-1-ol

C10H19NO — CID 106146857

IUPAC4-(but-2-ynylamino)-3,3-dimethylbutan-1-ol
SMILESCC#CCNCC(C)(C)CCO
InChIInChI=1S/C10H19NO/c1-4-5-7-11-9-10(2,3)6-8-12/h11-12H,6-9H2,1-3H3
InChIKeyVBKKGJLFIGGTLJ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.01
Rot. Bonds5

About 4-(but-2-ynylamino)-3,3-dimethylbutan-1-ol

4-(but-2-ynylamino)-3,3-dimethylbutan-1-ol (PubChem CID 106146857) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(but-2-ynylamino)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-(but-2-ynylamino)-3,3-dimethylbutan-1-ol
PubChem CID106146857
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(but-2-ynylamino)-3,3-dimethylbutan-1-ol
SMILESCC#CCNCC(C)(C)CCO
InChIInChI=1S/C10H19NO/c1-4-5-7-11-9-10(2,3)6-8-12/h11-12H,6-9H2,1-3H3
InChIKeyVBKKGJLFIGGTLJ-UHFFFAOYSA-N
XLogP1.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.01
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'}

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Related Compounds

1-(but-2-ynylamino)-2-methylpropan-2-ol
CID 65106731
4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol
CID 106146641
3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol
CID 115876647
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile
CID 106146761
3,3-dimethyl-4-(prop-2-enylamino)butan-1-ol
CID 106146633
1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol
CID 106146862
3,3-dimethyl-4-(2-methylsulfanylethylamino)butan-1-ol
CID 106146552
2-[(5-hydroxy-2,2-dimethylpentyl)amino]acetonitrile
CID 106147054
(4-hydroxy-2,2-dimethylbutyl)cyanamide
CID 106146768
4-(dodecylamino)-3,3-dimethylbutan-1-ol
CID 106146657
N-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide
CID 106146940
3,3-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]butan-1-ol
CID 106146928

Frequently Asked Questions

What is the IUPAC name of 4-(but-2-ynylamino)-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-(but-2-ynylamino)-3,3-dimethylbutan-1-ol (CID 106146857) is 4-(but-2-ynylamino)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-(but-2-ynylamino)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-(but-2-ynylamino)-3,3-dimethylbutan-1-ol is CC#CCNCC(C)(C)CCO.
What is the InChIKey of 4-(but-2-ynylamino)-3,3-dimethylbutan-1-ol?
The InChIKey is VBKKGJLFIGGTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-7-11-9-10(2,3)6-8-12/h11-12H,6-9H2,1-3H3.
What are the key properties of 4-(but-2-ynylamino)-3,3-dimethylbutan-1-ol?
4-(but-2-ynylamino)-3,3-dimethylbutan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(but-2-ynylamino)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106146857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).