4-[but-2-ynyl(methyl)amino]butan-2-ol

C9H17NO — CID 115665847

IUPAC4-[but-2-ynyl(methyl)amino]butan-2-ol
SMILESCC#CCN(C)CCC(C)O
InChIInChI=1S/C9H17NO/c1-4-5-7-10(3)8-6-9(2)11/h9,11H,6-8H2,1-3H3
InChIKeyNZVRRZYWMMYSNR-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.71
Rot. Bonds4

About 4-[but-2-ynyl(methyl)amino]butan-2-ol

4-[but-2-ynyl(methyl)amino]butan-2-ol (PubChem CID 115665847) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-[but-2-ynyl(methyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[but-2-ynyl(methyl)amino]butan-2-ol
PubChem CID115665847
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-[but-2-ynyl(methyl)amino]butan-2-ol
SMILESCC#CCN(C)CCC(C)O
InChIInChI=1S/C9H17NO/c1-4-5-7-10(3)8-6-9(2)11/h9,11H,6-8H2,1-3H3
InChIKeyNZVRRZYWMMYSNR-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-aminoethyl(methyl)amino]butan-2-ol
CID 86811494
4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol
CID 115873167
4-[but-3-enyl(methyl)amino]butan-2-ol
CID 115665768
4-[9-bromononyl(methyl)amino]butan-2-ol
CID 105343869
4-[methyl(2-propoxyethyl)amino]butan-2-ol
CID 106456260
4-[[2-(3-aminophenyl)-2-hydroxyethyl]-methylamino]butan-2-ol
CID 113499514
1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine
CID 104809119
N-(3-hydroxybutyl)-N-methylnitrous amide
CID 145274513
4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol
CID 103710589
1-N-methyl-1-N-(4-methylpent-2-ynyl)pentane-1,3-diamine
CID 134401021
N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665848
N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide
CID 104869240

Frequently Asked Questions

What is the IUPAC name of 4-[but-2-ynyl(methyl)amino]butan-2-ol?
The IUPAC name of 4-[but-2-ynyl(methyl)amino]butan-2-ol (CID 115665847) is 4-[but-2-ynyl(methyl)amino]butan-2-ol.
What is the SMILES notation for 4-[but-2-ynyl(methyl)amino]butan-2-ol?
The canonical SMILES for 4-[but-2-ynyl(methyl)amino]butan-2-ol is CC#CCN(C)CCC(C)O.
What is the InChIKey of 4-[but-2-ynyl(methyl)amino]butan-2-ol?
The InChIKey is NZVRRZYWMMYSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-7-10(3)8-6-9(2)11/h9,11H,6-8H2,1-3H3.
What are the key properties of 4-[but-2-ynyl(methyl)amino]butan-2-ol?
4-[but-2-ynyl(methyl)amino]butan-2-ol has a molecular weight of 155.24 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[but-2-ynyl(methyl)amino]butan-2-ol is sourced from PubChem (CID 115665847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).