1-[(pent-3-ynylamino)methyl]naphthalen-2-ol

C16H17NO — CID 116642987

IUPAC1-[(pent-3-ynylamino)methyl]naphthalen-2-ol
SMILESCC#CCCNCc1c(O)ccc2ccccc12
InChIInChI=1S/C16H17NO/c1-2-3-6-11-17-12-15-14-8-5-4-7-13(14)9-10-16(15)18/h4-5,7-10,17-18H,6,11-12H2,1H3
InChIKeyYUOWNVIUNPBTKW-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.05
Rot. Bonds4

About 1-[(pent-3-ynylamino)methyl]naphthalen-2-ol

1-[(pent-3-ynylamino)methyl]naphthalen-2-ol (PubChem CID 116642987) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[(pent-3-ynylamino)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(pent-3-ynylamino)methyl]naphthalen-2-ol
PubChem CID116642987
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-[(pent-3-ynylamino)methyl]naphthalen-2-ol
SMILESCC#CCCNCc1c(O)ccc2ccccc12
InChIInChI=1S/C16H17NO/c1-2-3-6-11-17-12-15-14-8-5-4-7-13(14)9-10-16(15)18/h4-5,7-10,17-18H,6,11-12H2,1H3
InChIKeyYUOWNVIUNPBTKW-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol
CID 61166416
1-[(octylamino)methyl]naphthalen-2-ol
CID 44531481
1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol
CID 115632450
1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol
CID 43824878
1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol
CID 61019837
2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide
CID 43551924
1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol
CID 63933523
1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol
CID 60912931
1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol
CID 28720750
N-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine
CID 104804665
6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol
CID 116643034
2-[(2-hydroxynaphthalen-1-yl)methylamino]-N,N-dimethylacetamide
CID 43310908

Frequently Asked Questions

What is the IUPAC name of 1-[(pent-3-ynylamino)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(pent-3-ynylamino)methyl]naphthalen-2-ol (CID 116642987) is 1-[(pent-3-ynylamino)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(pent-3-ynylamino)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(pent-3-ynylamino)methyl]naphthalen-2-ol is CC#CCCNCc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(pent-3-ynylamino)methyl]naphthalen-2-ol?
The InChIKey is YUOWNVIUNPBTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-3-6-11-17-12-15-14-8-5-4-7-13(14)9-10-16(15)18/h4-5,7-10,17-18H,6,11-12H2,1H3.
What are the key properties of 1-[(pent-3-ynylamino)methyl]naphthalen-2-ol?
1-[(pent-3-ynylamino)methyl]naphthalen-2-ol has a molecular weight of 239.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(pent-3-ynylamino)methyl]naphthalen-2-ol is sourced from PubChem (CID 116642987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).