N-benzyl-N-(4,4-dimethyl-1-phenylpent-1-yn-3-yl)hydroxylamine

C20H23NO — CID 102461679

IUPACN-benzyl-N-(4,4-dimethyl-1-phenylpent-1-yn-3-yl)hydroxylamine
SMILESCC(C)(C)C(C#Cc1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C20H23NO/c1-20(2,3)19(15-14-17-10-6-4-7-11-17)21(22)16-18-12-8-5-9-13-18/h4-13,19,22H,16H2,1-3H3
InChIKeyXAJWZNWXLHWEEO-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.34
Rot. Bonds3

About N-benzyl-N-(4,4-dimethyl-1-phenylpent-1-yn-3-yl)hydroxylamine

N-benzyl-N-(4,4-dimethyl-1-phenylpent-1-yn-3-yl)hydroxylamine (PubChem CID 102461679) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is N-benzyl-N-(4,4-dimethyl-1-phenylpent-1-yn-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-(4,4-dimethyl-1-phenylpent-1-yn-3-yl)hydroxylamine
PubChem CID102461679
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC NameN-benzyl-N-(4,4-dimethyl-1-phenylpent-1-yn-3-yl)hydroxylamine
SMILESCC(C)(C)C(C#Cc1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C20H23NO/c1-20(2,3)19(15-14-17-10-6-4-7-11-17)21(22)16-18-12-8-5-9-13-18/h4-13,19,22H,16H2,1-3H3
InChIKeyXAJWZNWXLHWEEO-UHFFFAOYSA-N
XLogP4.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.34
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

N-benzyl-N-(1-phenylhept-1-yn-3-yl)hydroxylamine
CID 101462784
N-benzyl-N-[(1R)-1-phenylethyl]hydroxylamine
CID 15778138
N,N-dibenzyl-4-ethyl-1-phenylhex-1-yn-3-amine
CID 102105141
N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-N-(4-methyl-1-phenylpent-1-yn-3-yl)hydroxylamine
CID 101462791
N-benzyl-N-[1-(3-nitrophenyl)-3-phenylprop-2-ynyl]hydroxylamine
CID 134942133
ethyl 2-(dibenzylamino)-4-phenylbut-3-ynoate
CID 86069558
N-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide
CID 102158521
N,N-diethyl-1,4-diphenylbut-3-yn-2-amine
CID 23239570
N,N-diethyl-4-phenylbut-3-yn-2-amine
CID 3146070
(3S)-1,5-diphenylpent-1-yn-3-ol
CID 54756336
(4,4-dimethyl-1-phenylpent-1-yn-3-yl) acetate
CID 11345245
tert-butyl N-(1,4-diphenylbut-3-yn-2-yl)carbamate
CID 122384994

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4,4-dimethyl-1-phenylpent-1-yn-3-yl)hydroxylamine?
The IUPAC name of N-benzyl-N-(4,4-dimethyl-1-phenylpent-1-yn-3-yl)hydroxylamine (CID 102461679) is N-benzyl-N-(4,4-dimethyl-1-phenylpent-1-yn-3-yl)hydroxylamine.
What is the SMILES notation for N-benzyl-N-(4,4-dimethyl-1-phenylpent-1-yn-3-yl)hydroxylamine?
The canonical SMILES for N-benzyl-N-(4,4-dimethyl-1-phenylpent-1-yn-3-yl)hydroxylamine is CC(C)(C)C(C#Cc1ccccc1)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(4,4-dimethyl-1-phenylpent-1-yn-3-yl)hydroxylamine?
The InChIKey is XAJWZNWXLHWEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-20(2,3)19(15-14-17-10-6-4-7-11-17)21(22)16-18-12-8-5-9-13-18/h4-13,19,22H,16H2,1-3H3.
What are the key properties of N-benzyl-N-(4,4-dimethyl-1-phenylpent-1-yn-3-yl)hydroxylamine?
N-benzyl-N-(4,4-dimethyl-1-phenylpent-1-yn-3-yl)hydroxylamine has a molecular weight of 293.41 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4,4-dimethyl-1-phenylpent-1-yn-3-yl)hydroxylamine is sourced from PubChem (CID 102461679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).