4-[di(propan-2-yl)amino]-1-naphthalen-1-ylbut-2-yn-1-ol

C20H25NO — CID 101268197

IUPAC4-[di(propan-2-yl)amino]-1-naphthalen-1-ylbut-2-yn-1-ol
SMILESCC(C)N(CC#CC(O)c1cccc2ccccc12)C(C)C
InChIInChI=1S/C20H25NO/c1-15(2)21(16(3)4)14-8-13-20(22)19-12-7-10-17-9-5-6-11-18(17)19/h5-7,9-12,15-16,20,22H,14H2,1-4H3
InChIKeyXADWBPFCXDMSHP-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.00
Rot. Bonds4

About 4-[di(propan-2-yl)amino]-1-naphthalen-1-ylbut-2-yn-1-ol

4-[di(propan-2-yl)amino]-1-naphthalen-1-ylbut-2-yn-1-ol (PubChem CID 101268197) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-[di(propan-2-yl)amino]-1-naphthalen-1-ylbut-2-yn-1-ol.

Molecular Properties

Compound Name4-[di(propan-2-yl)amino]-1-naphthalen-1-ylbut-2-yn-1-ol
PubChem CID101268197
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name4-[di(propan-2-yl)amino]-1-naphthalen-1-ylbut-2-yn-1-ol
SMILESCC(C)N(CC#CC(O)c1cccc2ccccc12)C(C)C
InChIInChI=1S/C20H25NO/c1-15(2)21(16(3)4)14-8-13-20(22)19-12-7-10-17-9-5-6-11-18(17)19/h5-7,9-12,15-16,20,22H,14H2,1-4H3
InChIKeyXADWBPFCXDMSHP-UHFFFAOYSA-N
XLogP4.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.00
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

(1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol
CID 71614600
1-naphthalen-1-ylprop-2-yn-1-ol
CID 12661155
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol
CID 101184195
3-[1-naphthalen-1-ylethyl(propan-2-yl)amino]propanoic acid
CID 65057116
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
1-naphthalen-1-ylundeca-2,4-diyne-1,6-diol
CID 142726642
N-methyl-N-(1-naphthalen-1-ylethyl)propan-2-amine
CID 22982648
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
(2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium
CID 91999379
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548

Frequently Asked Questions

What is the IUPAC name of 4-[di(propan-2-yl)amino]-1-naphthalen-1-ylbut-2-yn-1-ol?
The IUPAC name of 4-[di(propan-2-yl)amino]-1-naphthalen-1-ylbut-2-yn-1-ol (CID 101268197) is 4-[di(propan-2-yl)amino]-1-naphthalen-1-ylbut-2-yn-1-ol.
What is the SMILES notation for 4-[di(propan-2-yl)amino]-1-naphthalen-1-ylbut-2-yn-1-ol?
The canonical SMILES for 4-[di(propan-2-yl)amino]-1-naphthalen-1-ylbut-2-yn-1-ol is CC(C)N(CC#CC(O)c1cccc2ccccc12)C(C)C.
What is the InChIKey of 4-[di(propan-2-yl)amino]-1-naphthalen-1-ylbut-2-yn-1-ol?
The InChIKey is XADWBPFCXDMSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-15(2)21(16(3)4)14-8-13-20(22)19-12-7-10-17-9-5-6-11-18(17)19/h5-7,9-12,15-16,20,22H,14H2,1-4H3.
What are the key properties of 4-[di(propan-2-yl)amino]-1-naphthalen-1-ylbut-2-yn-1-ol?
4-[di(propan-2-yl)amino]-1-naphthalen-1-ylbut-2-yn-1-ol has a molecular weight of 295.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[di(propan-2-yl)amino]-1-naphthalen-1-ylbut-2-yn-1-ol is sourced from PubChem (CID 101268197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).