tert-butyl N-(5-methyl-2,2-diphenylhex-4-enyl)carbamate;5-methyl-2,2-diphenylhex-4-en-1-amine

C43H54N2O2 — CID 161106850

IUPACtert-butyl N-(5-methyl-2,2-diphenylhex-4-enyl)carbamate;5-methyl-2,2-diphenylhex-4-en-1-amine
SMILESCC(C)=CCC(CN)(c1ccccc1)c1ccccc1.CC(C)=CCC(CNC(=O)OC(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO2.C19H23N/c1-19(2)16-17-24(20-12-8-6-9-13-20,21-14-10-7-11-15-21)18-25-22(26)27-23(3,4)5;1-16(2)13-14-19(15-20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h6-16H,17-18H2,1-5H3,(H,25,26);3-13H,14-15,20H2,1-2H3
InChIKeyUJDVJDGBFIYYRM-UHFFFAOYSA-N
MW630.92 g/mol
LogP10.14
Rot. Bonds11

About tert-butyl N-(5-methyl-2,2-diphenylhex-4-enyl)carbamate;5-methyl-2,2-diphenylhex-4-en-1-amine

tert-butyl N-(5-methyl-2,2-diphenylhex-4-enyl)carbamate;5-methyl-2,2-diphenylhex-4-en-1-amine (PubChem CID 161106850) has the molecular formula C43H54N2O2 and a molecular weight of 630.92 g/mol. Its IUPAC name is tert-butyl N-(5-methyl-2,2-diphenylhex-4-enyl)carbamate;5-methyl-2,2-diphenylhex-4-en-1-amine.

Molecular Properties

Compound Nametert-butyl N-(5-methyl-2,2-diphenylhex-4-enyl)carbamate;5-methyl-2,2-diphenylhex-4-en-1-amine
PubChem CID161106850
Molecular FormulaC43H54N2O2
Molecular Weight630.92 g/mol
Exact Mass630.42
IUPAC Nametert-butyl N-(5-methyl-2,2-diphenylhex-4-enyl)carbamate;5-methyl-2,2-diphenylhex-4-en-1-amine
SMILESCC(C)=CCC(CN)(c1ccccc1)c1ccccc1.CC(C)=CCC(CNC(=O)OC(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO2.C19H23N/c1-19(2)16-17-24(20-12-8-6-9-13-20,21-14-10-7-11-15-21)18-25-22(26)27-23(3,4)5;1-16(2)13-14-19(15-20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h6-16H,17-18H2,1-5H3,(H,25,26);3-13H,14-15,20H2,1-2H3
InChIKeyUJDVJDGBFIYYRM-UHFFFAOYSA-N
XLogP10.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.92
LogP ≤ 510.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]carbamate
CID 67266052
methyl N-(2,2-diphenylpent-4-enyl)carbamate
CID 135072663
2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
CID 106489417
tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate
CID 10891197
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-[(Z)-2-methyl-3-tritylsulfanylprop-2-enyl]carbamate
CID 139702121
tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate
CID 170622454
tert-butyl N-[2-(hydroxymethyl)-2-phenylhexyl]carbamate
CID 106508166
[(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 5386708
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-phenylbutanoate
CID 21357710
tert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate
CID 103389357
tert-butyl N-(anilinomethyl)carbamate
CID 87555144

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-methyl-2,2-diphenylhex-4-enyl)carbamate;5-methyl-2,2-diphenylhex-4-en-1-amine?
The IUPAC name of tert-butyl N-(5-methyl-2,2-diphenylhex-4-enyl)carbamate;5-methyl-2,2-diphenylhex-4-en-1-amine (CID 161106850) is tert-butyl N-(5-methyl-2,2-diphenylhex-4-enyl)carbamate;5-methyl-2,2-diphenylhex-4-en-1-amine.
What is the SMILES notation for tert-butyl N-(5-methyl-2,2-diphenylhex-4-enyl)carbamate;5-methyl-2,2-diphenylhex-4-en-1-amine?
The canonical SMILES for tert-butyl N-(5-methyl-2,2-diphenylhex-4-enyl)carbamate;5-methyl-2,2-diphenylhex-4-en-1-amine is CC(C)=CCC(CN)(c1ccccc1)c1ccccc1.CC(C)=CCC(CNC(=O)OC(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-(5-methyl-2,2-diphenylhex-4-enyl)carbamate;5-methyl-2,2-diphenylhex-4-en-1-amine?
The InChIKey is UJDVJDGBFIYYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2.C19H23N/c1-19(2)16-17-24(20-12-8-6-9-13-20,21-14-10-7-11-15-21)18-25-22(26)27-23(3,4)5;1-16(2)13-14-19(15-20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h6-16H,17-18H2,1-5H3,(H,25,26);3-13H,14-15,20H2,1-2H3.
What are the key properties of tert-butyl N-(5-methyl-2,2-diphenylhex-4-enyl)carbamate;5-methyl-2,2-diphenylhex-4-en-1-amine?
tert-butyl N-(5-methyl-2,2-diphenylhex-4-enyl)carbamate;5-methyl-2,2-diphenylhex-4-en-1-amine has a molecular weight of 630.92 g/mol, XLogP of 10.14, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-methyl-2,2-diphenylhex-4-enyl)carbamate;5-methyl-2,2-diphenylhex-4-en-1-amine is sourced from PubChem (CID 161106850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).