N-benzyl-N-(1-phenylhept-2-ynyl)hydroxylamine

C20H23NO — CID 11197143

IUPACN-benzyl-N-(1-phenylhept-2-ynyl)hydroxylamine
SMILESCCCCC#CC(c1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C20H23NO/c1-2-3-4-11-16-20(19-14-9-6-10-15-19)21(22)17-18-12-7-5-8-13-18/h5-10,12-15,20,22H,2-4,17H2,1H3
InChIKeyVMHHYHDQZCXVKD-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.81
Rot. Bonds6

About N-benzyl-N-(1-phenylhept-2-ynyl)hydroxylamine

N-benzyl-N-(1-phenylhept-2-ynyl)hydroxylamine (PubChem CID 11197143) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is N-benzyl-N-(1-phenylhept-2-ynyl)hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-(1-phenylhept-2-ynyl)hydroxylamine
PubChem CID11197143
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC NameN-benzyl-N-(1-phenylhept-2-ynyl)hydroxylamine
SMILESCCCCC#CC(c1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C20H23NO/c1-2-3-4-11-16-20(19-14-9-6-10-15-19)21(22)17-18-12-7-5-8-13-18/h5-10,12-15,20,22H,2-4,17H2,1H3
InChIKeyVMHHYHDQZCXVKD-UHFFFAOYSA-N
XLogP4.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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CID 5311017
Dibenzylhydroxylamine
CID 69297
Benzfetamine
CID 2341
Benzphetamine Hydrochloride
CID 11558159
Norbenzphetamine
CID 102554
N-Benzylamphetamine
CID 10149140
Bis(alpha-methylbenzyl)amine
CID 24804
Lefetamine
CID 443970
Benzyl-methyl-(5-phenyl-pentyl)-amine
CID 18790196
alpha-methyl-N-(1-phenylethyl)-benzenethanamine
CID 6430604
N,N-Dimethyl-alpha-phenylbenzeneethanamine
CID 22779
Dibenzyldimethylammonium chloride
CID 101569

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-phenylhept-2-ynyl)hydroxylamine?
The IUPAC name of N-benzyl-N-(1-phenylhept-2-ynyl)hydroxylamine (CID 11197143) is N-benzyl-N-(1-phenylhept-2-ynyl)hydroxylamine.
What is the SMILES notation for N-benzyl-N-(1-phenylhept-2-ynyl)hydroxylamine?
The canonical SMILES for N-benzyl-N-(1-phenylhept-2-ynyl)hydroxylamine is CCCCC#CC(c1ccccc1)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(1-phenylhept-2-ynyl)hydroxylamine?
The InChIKey is VMHHYHDQZCXVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-2-3-4-11-16-20(19-14-9-6-10-15-19)21(22)17-18-12-7-5-8-13-18/h5-10,12-15,20,22H,2-4,17H2,1H3.
What are the key properties of N-benzyl-N-(1-phenylhept-2-ynyl)hydroxylamine?
N-benzyl-N-(1-phenylhept-2-ynyl)hydroxylamine has a molecular weight of 293.41 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-phenylhept-2-ynyl)hydroxylamine is sourced from PubChem (CID 11197143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).