N-methyl-N-[[6-(5-phenylpent-1-ynyl)-2-pyridinyl]methyl]hydroxylamine

C18H20N2O — CID 154680187

IUPACN-methyl-N-[[6-(5-phenylpent-1-ynyl)-2-pyridinyl]methyl]hydroxylamine
SMILESCN(O)Cc1cccc(C#CCCCc2ccccc2)n1
InChIInChI=1S/C18H20N2O/c1-20(21)15-18-14-8-13-17(19-18)12-7-3-6-11-16-9-4-2-5-10-16/h2,4-5,8-10,13-14,21H,3,6,11,15H2,1H3
InChIKeyMZYPZXAZAGBYOS-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.28
Rot. Bonds5

About N-methyl-N-[[6-(5-phenylpent-1-ynyl)-2-pyridinyl]methyl]hydroxylamine

N-methyl-N-[[6-(5-phenylpent-1-ynyl)-2-pyridinyl]methyl]hydroxylamine (PubChem CID 154680187) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-methyl-N-[[6-(5-phenylpent-1-ynyl)-2-pyridinyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-methyl-N-[[6-(5-phenylpent-1-ynyl)-2-pyridinyl]methyl]hydroxylamine
PubChem CID154680187
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-methyl-N-[[6-(5-phenylpent-1-ynyl)-2-pyridinyl]methyl]hydroxylamine
SMILESCN(O)Cc1cccc(C#CCCCc2ccccc2)n1
InChIInChI=1S/C18H20N2O/c1-20(21)15-18-14-8-13-17(19-18)12-7-3-6-11-16-9-4-2-5-10-16/h2,4-5,8-10,13-14,21H,3,6,11,15H2,1H3
InChIKeyMZYPZXAZAGBYOS-UHFFFAOYSA-N
XLogP3.28
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-(5-phenylpent-1-ynyl)pyridine-2-carbaldehyde
CID 154628718
(3S)-2-methyl-8-phenyloct-4-yn-3-ol
CID 11991329
N-[[4-chloro-6-(5-phenylpent-1-ynyl)-3-pyridinyl]methylidene]hydroxylamine
CID 142560335
[(Z)-3,9-diphenylnon-3-en-1,5-diynyl]-trimethylsilane
CID 10854822
8-iodooct-4-ynylbenzene
CID 139920502
6-[(dimethylamino)methyl]pyridine-2-carbonitrile
CID 18953890
2-chloro-4-(4-phenylbut-1-ynyl)pyrimidine
CID 11701495
2-hex-1-ynyl-4,5-dimethyl-6-(5-phenylpent-1-ynyl)pyrimidine
CID 11393372
1,2-dimethyl-4-(4-phenylbut-1-ynyl)imidazole
CID 69399890
3-(5-phenylpent-1-ynyl)thiophene
CID 152636776
triethyl(5-phenylpent-1-ynoxy)silane
CID 67428046
(NZ)-N-[[6-chloro-3-(5-phenylpent-1-ynyl)-2-pyridinyl]methylidene]hydroxylamine
CID 154621589

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[6-(5-phenylpent-1-ynyl)-2-pyridinyl]methyl]hydroxylamine?
The IUPAC name of N-methyl-N-[[6-(5-phenylpent-1-ynyl)-2-pyridinyl]methyl]hydroxylamine (CID 154680187) is N-methyl-N-[[6-(5-phenylpent-1-ynyl)-2-pyridinyl]methyl]hydroxylamine.
What is the SMILES notation for N-methyl-N-[[6-(5-phenylpent-1-ynyl)-2-pyridinyl]methyl]hydroxylamine?
The canonical SMILES for N-methyl-N-[[6-(5-phenylpent-1-ynyl)-2-pyridinyl]methyl]hydroxylamine is CN(O)Cc1cccc(C#CCCCc2ccccc2)n1.
What is the InChIKey of N-methyl-N-[[6-(5-phenylpent-1-ynyl)-2-pyridinyl]methyl]hydroxylamine?
The InChIKey is MZYPZXAZAGBYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20(21)15-18-14-8-13-17(19-18)12-7-3-6-11-16-9-4-2-5-10-16/h2,4-5,8-10,13-14,21H,3,6,11,15H2,1H3.
What are the key properties of N-methyl-N-[[6-(5-phenylpent-1-ynyl)-2-pyridinyl]methyl]hydroxylamine?
N-methyl-N-[[6-(5-phenylpent-1-ynyl)-2-pyridinyl]methyl]hydroxylamine has a molecular weight of 280.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[6-(5-phenylpent-1-ynyl)-2-pyridinyl]methyl]hydroxylamine is sourced from PubChem (CID 154680187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).