7-(diethylamino)-2-methyl-3-phenylhept-5-yn-3-ol

C18H27NO — CID 102551639

IUPAC7-(diethylamino)-2-methyl-3-phenylhept-5-yn-3-ol
SMILESCCN(CC)CC#CCC(O)(c1ccccc1)C(C)C
InChIInChI=1S/C18H27NO/c1-5-19(6-2)15-11-10-14-18(20,16(3)4)17-12-8-7-9-13-17/h7-9,12-13,16,20H,5-6,14-15H2,1-4H3
InChIKeyVYEAWZJBQMVIDW-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.27
Rot. Bonds6

About 7-(diethylamino)-2-methyl-3-phenylhept-5-yn-3-ol

7-(diethylamino)-2-methyl-3-phenylhept-5-yn-3-ol (PubChem CID 102551639) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 7-(diethylamino)-2-methyl-3-phenylhept-5-yn-3-ol.

Molecular Properties

Compound Name7-(diethylamino)-2-methyl-3-phenylhept-5-yn-3-ol
PubChem CID102551639
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name7-(diethylamino)-2-methyl-3-phenylhept-5-yn-3-ol
SMILESCCN(CC)CC#CCC(O)(c1ccccc1)C(C)C
InChIInChI=1S/C18H27NO/c1-5-19(6-2)15-11-10-14-18(20,16(3)4)17-12-8-7-9-13-17/h7-9,12-13,16,20H,5-6,14-15H2,1-4H3
InChIKeyVYEAWZJBQMVIDW-UHFFFAOYSA-N
XLogP3.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.27
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

2-methyl-3-phenyl-7-pyrrolidin-1-ium-1-ylhept-5-yn-3-ol chloride
CID 44657125
1-cyclohexyl-5-(diethylamino)-1-phenylpent-3-yn-1-ol chloride
CID 53350693
1-fluoro-4-methyl-3-phenylpentan-3-ol
CID 156689206
cyclohexane;4-(diethylamino)but-2-ynyl 2-hydroxy-2-phenylpropanoate;ethane
CID 142945990
(1S)-4-(diethylamino)-1-phenyl-1-thiophen-2-ylbut-2-yn-1-ol
CID 7117868
3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol
CID 57245226
(5-hydroxy-5,5-diphenylpent-2-ynyl)-di(propan-2-yl)azanium chloride
CID 44658888
N,N-diethyl-4,4-diphenylbut-2-yn-1-amine
CID 1415531
6-(diethylamino)-1,1-diphenylhex-4-yn-2-one
CID 57339628
1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol
CID 167979498
4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 4634
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-2-methyl-3-phenylhept-5-yn-3-ol?
The IUPAC name of 7-(diethylamino)-2-methyl-3-phenylhept-5-yn-3-ol (CID 102551639) is 7-(diethylamino)-2-methyl-3-phenylhept-5-yn-3-ol.
What is the SMILES notation for 7-(diethylamino)-2-methyl-3-phenylhept-5-yn-3-ol?
The canonical SMILES for 7-(diethylamino)-2-methyl-3-phenylhept-5-yn-3-ol is CCN(CC)CC#CCC(O)(c1ccccc1)C(C)C.
What is the InChIKey of 7-(diethylamino)-2-methyl-3-phenylhept-5-yn-3-ol?
The InChIKey is VYEAWZJBQMVIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-5-19(6-2)15-11-10-14-18(20,16(3)4)17-12-8-7-9-13-17/h7-9,12-13,16,20H,5-6,14-15H2,1-4H3.
What are the key properties of 7-(diethylamino)-2-methyl-3-phenylhept-5-yn-3-ol?
7-(diethylamino)-2-methyl-3-phenylhept-5-yn-3-ol has a molecular weight of 273.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-2-methyl-3-phenylhept-5-yn-3-ol is sourced from PubChem (CID 102551639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).