N-benzyl-N-(2,2-dimethyl-7-phenylhept-4-yn-3-yl)hydroxylamine

C22H27NO — CID 11324714

IUPACN-benzyl-N-(2,2-dimethyl-7-phenylhept-4-yn-3-yl)hydroxylamine
SMILESCC(C)(C)C(C#CCCc1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C22H27NO/c1-22(2,3)21(23(24)18-20-15-8-5-9-16-20)17-11-10-14-19-12-6-4-7-13-19/h4-9,12-13,15-16,21,24H,10,14,18H2,1-3H3
InChIKeyTYSHIKOHQLGDAX-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.93
Rot. Bonds5

About N-benzyl-N-(2,2-dimethyl-7-phenylhept-4-yn-3-yl)hydroxylamine

N-benzyl-N-(2,2-dimethyl-7-phenylhept-4-yn-3-yl)hydroxylamine (PubChem CID 11324714) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is N-benzyl-N-(2,2-dimethyl-7-phenylhept-4-yn-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-(2,2-dimethyl-7-phenylhept-4-yn-3-yl)hydroxylamine
PubChem CID11324714
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC NameN-benzyl-N-(2,2-dimethyl-7-phenylhept-4-yn-3-yl)hydroxylamine
SMILESCC(C)(C)C(C#CCCc1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C22H27NO/c1-22(2,3)21(23(24)18-20-15-8-5-9-16-20)17-11-10-14-19-12-6-4-7-13-19/h4-9,12-13,15-16,21,24H,10,14,18H2,1-3H3
InChIKeyTYSHIKOHQLGDAX-UHFFFAOYSA-N
XLogP4.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
Lefetamine
CID 443970
N,N-Dimethyl-alpha-phenylbenzeneethanamine
CID 22779
Benzylamine, N-cyclohexyl-N-pentyl-
CID 44277
2,2,5-Trimethyl-4-phenyl-3-azahexane-3-nitroxide
CID 10900145
(R)-Benzphetamine
CID 29010891
Oxifentorex
CID 176171
Benzeneethanamine, N-methyl-N-(phenylmethyl)-
CID 116475
N,N-Diethylbenzhydrylamine
CID 9794747

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2,2-dimethyl-7-phenylhept-4-yn-3-yl)hydroxylamine?
The IUPAC name of N-benzyl-N-(2,2-dimethyl-7-phenylhept-4-yn-3-yl)hydroxylamine (CID 11324714) is N-benzyl-N-(2,2-dimethyl-7-phenylhept-4-yn-3-yl)hydroxylamine.
What is the SMILES notation for N-benzyl-N-(2,2-dimethyl-7-phenylhept-4-yn-3-yl)hydroxylamine?
The canonical SMILES for N-benzyl-N-(2,2-dimethyl-7-phenylhept-4-yn-3-yl)hydroxylamine is CC(C)(C)C(C#CCCc1ccccc1)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2,2-dimethyl-7-phenylhept-4-yn-3-yl)hydroxylamine?
The InChIKey is TYSHIKOHQLGDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-22(2,3)21(23(24)18-20-15-8-5-9-16-20)17-11-10-14-19-12-6-4-7-13-19/h4-9,12-13,15-16,21,24H,10,14,18H2,1-3H3.
What are the key properties of N-benzyl-N-(2,2-dimethyl-7-phenylhept-4-yn-3-yl)hydroxylamine?
N-benzyl-N-(2,2-dimethyl-7-phenylhept-4-yn-3-yl)hydroxylamine has a molecular weight of 321.46 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2,2-dimethyl-7-phenylhept-4-yn-3-yl)hydroxylamine is sourced from PubChem (CID 11324714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).